(4-methoxyphenyl)methyl 7-[[(2Z)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 7-[[(2Z)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 7-[[(2Z)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-3-[(5R)-3-methyl-4,5-dihydroisoxazol-5-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 7-[[(2Z)-2-methoxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-3-[(5R)-3-methyl-4,5-dihydroisoxazol-5-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 7-[[(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 8-keto-3-[(5R)-3-methyl-2-isoxazolin-5-yl]-7-[[(2Z)-2-methyloximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid p-anisyl ester Formula: C44H40N6O7S2 MolecularWeight: 828.9544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(C1)C2=CSC3C(C(=O)N3C2C(=O)OCC4=CC=C(C=C4)OC)NC(=O)C(=NOC)C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CC1=NO[C@H](C1)C2=CSC3C(C(=O)N3C2C(=O)OCC4=CC=C(C=C4)OC)NC(=O)/C(=N\OC)/C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H40N6O7S2/c1-27-23-35(57-48-27)33-25-58-41-37(40(52)50(41)38(33)42(53)56-24-28-19-21-32(54-2)22-20-28)46-39(51)36(49-55-3)34-26-59-43(45-34)47-44(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31/h4-22,25-26,35,37-38,41H,23-24H2,1-3H3,(H,45,47)(H,46,51)/b49-36-/t35-,37?,38?,41?/m1/s1