(4-methoxyphenyl)methyl 3-[[7-(dimethylamino)-1-methyl-imidazo[1,2-c]pyrimidin-4-ium-5-yl]sulfanylmethyl]-7-[[(2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]oxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chloride

Systemtic Name: (4-methoxyphenyl)methyl 3-[[7-(dimethylamino)-1-methyl-imidazo[1,2-c]pyrimidin-4-ium-5-yl]sulfanylmethyl]-7-[[(2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]oxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chloride Openeye Name: (4-methoxyphenyl)methyl 7-[[(2Z)-2-(2-tert-butoxy-1,1-dimethyl-2-oxo-ethoxy)imino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-3-[[7-(dimethylamino)-1-methyl-imidazo[1,2-c]pyrimidin-4-ium-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chloride CAS Name: 3-[[[7-(dimethylamino)-1-methyl-5-imidazo[1,2-c]pyrimidin-4-iumyl]thio]methyl]-7-[[(2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester chloride IUPAC Name: (4-methoxyphenyl)methyl 3-[[7-(dimethylamino)-1-methylimidazo[1,2-c]pyrimidin-4-ium-5-yl]sulfanylmethyl]-7-[[(2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chloride Traditional Name: 7-[[(2Z)-2-(2-tert-butoxy-2-keto-1,1-dimethyl-ethyl)oximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-3-[[[7-(dimethylamino)-1-methyl-imidazo[1,2-c]pyrimidin-4-ium-5-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester chloride Formula: C57H60ClN9O8S3 MolecularWeight: 1130.7898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)ON=C(C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5C6N(C5=O)C(=C(CS6)CSC7=NC(=CC8=[N+]7C=CN8C)N(C)C)C(=O)OCC9=CC=C(C=C9)OC.[Cl-]

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)O/N=C(/C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)\C(=O)NC5C6N(C5=O)C(=C(CS6)CSC7=NC(=CC8=[N+]7C=CN8C)N(C)C)C(=O)OCC9=CC=C(C=C9)OC.[Cl-]

InChI

InChI=1S/C57H59N9O8S3.ClH/c1-55(2,3)73-52(70)56(4,5)74-62-45(42-35-76-53(58-42)61-57(38-19-13-10-14-20-38,39-21-15-11-16-22-39)40-23-17-12-18-24-40)48(67)60-46-49(68)66-47(51(69)72-32-36-25-27-41(71-9)28-26-36)37(33-75-50(46)66)34-77-54-59-43(63(6)7)31-44-64(8)29-30-65(44)54;/h10-31,35,46,50H,32-34H2,1-9H3,(H-,58,60,61,67);1H/b62-45-;