(diphenylmethyl) 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-2-(6-methylpyridin-3-yl)ethenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-2-(6-methylpyridin-3-yl)ethenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2E)-2-(2-formamidothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(E)-2-(6-methyl-3-pyridyl)vinyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-formamido-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(E)-2-(6-methyl-3-pyridinyl)ethenyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-(6-methylpyridin-3-yl)ethenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-formamidothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-3-[[(E)-2-(6-methyl-3-pyridyl)vinyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C35H30N6O6S3 MolecularWeight: 726.8443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C=CSC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)NC=O)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=NC=C(C=C1)/C=C/SC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)NC=O)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H30N6O6S3/c1-21-13-14-22(17-36-21)15-16-48-26-19-49-33-28(39-31(43)27(40-46-2)25-18-50-35(38-25)37-20-42)32(44)41(33)29(26)34(45)47-30(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-18,20,28,30,33H,19H2,1-2H3,(H,39,43)(H,37,38,42)/b16-15+,40-27+