(4-methoxyphenyl)methyl (6R,7R)-3-[[6,7-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-4-oxidanylidene-thiochromen-2-yl]sulfanylmethyl]-7-[[(2Z)-2-methoxyimino-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

Systemtic Name: (4-methoxyphenyl)methyl (6R,7R)-3-[[6,7-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-4-oxidanylidene-thiochromen-2-yl]sulfanylmethyl]-7-[[(2Z)-2-methoxyimino-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 Openeye Name: (4-methoxyphenyl)methyl (6R,7R)-3-[[6,7-bis(tert-butoxycarbonyloxy)-4-oxo-thiochromen-2-yl]sulfanylmethyl]-7-[[(2Z)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-[[[6,7-bis[(2-methylpropan-2-yl)oxy-oxomethoxy]-4-oxo-1-benzothiopyran-2-yl]thio]methyl]-7-[[(2Z)-2-methoxyimino-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 IUPAC Name: (4-methoxyphenyl)methyl (6R,7R)-3-[[6,7-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-4-oxothiochromen-2-yl]sulfanylmethyl]-7-[[(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-[[[6,7-bis(tert-butoxycarbonyloxy)-4-keto-thiochromen-2-yl]thio]methyl]-8-keto-7-[[(2Z)-2-methyloximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C60H57N5O13S4 MolecularWeight: 1184.38028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(C=C2C(=C1)C(=O)C=C(S2)SCC3=C(N4C(C(C4=O)NC(=O)C(=NOC)C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)SC3)C(=O)OCC9=CC=C(C=C9)OC)OC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C=C2C(=C1)C(=O)C=C(S2)SCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC)/C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)SC3)C(=O)OCC9=CC=C(C=C9)OC)OC(=O)OC(C)(C)C

InChI

InChI=1S/C60H57N5O13S4/c1-58(2,3)77-56(70)75-44-28-41-43(66)29-47(82-46(41)30-45(44)76-57(71)78-59(4,5)6)79-32-36-33-80-53-49(52(68)65(53)50(36)54(69)74-31-35-24-26-40(72-7)27-25-35)62-51(67)48(64-73-8)42-34-81-55(61-42)63-60(37-18-12-9-13-19-37,38-20-14-10-15-21-38)39-22-16-11-17-23-39/h9-30,34,49,53H,31-33H2,1-8H3,(H,61,63)(H,62,67)/b64-48-/t49-,53-/m1/s1