(diphenylmethyl) 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-3-[[(E)-2-(6-methylpyridin-3-yl)ethenyl]sulfanylmethyl]-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-prop-2-enoxyimino-ethanoyl]amino]-3-[[(E)-2-(6-methylpyridin-3-yl)ethenyl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2E)-2-allyloxyimino-2-(2-formamidothiazol-4-yl)acetyl]amino]-3-[[(E)-2-(6-methyl-3-pyridyl)vinyl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-formamido-4-thiazolyl)-1-oxo-2-prop-2-enoxyiminoethyl]amino]-3-[[[(E)-2-(6-methyl-3-pyridinyl)ethenyl]thio]methyl]-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-prop-2-enoxyiminoacetyl]amino]-3-[[(E)-2-(6-methylpyridin-3-yl)ethenyl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-allyloximino-2-(2-formamidothiazol-4-yl)acetyl]amino]-8-keto-3-[[[(E)-2-(6-methyl-3-pyridyl)vinyl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C38H34N6O6S3 MolecularWeight: 766.90816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C=CSCC2=C(N3C(C(C3=O)NC(=O)C(=NOCC=C)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/SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OCC=C)/C4=CSC(=N4)NC=O)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H34N6O6S3/c1-3-17-49-43-30(29-22-53-38(41-29)40-23-45)34(46)42-31-35(47)44-32(28(21-52-36(31)44)20-51-18-16-25-15-14-24(2)39-19-25)37(48)50-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h3-16,18-19,22-23,31,33,36H,1,17,20-21H2,2H3,(H,42,46)(H,40,41,45)/b18-16+,43-30+