3-(acetyloxymethyl)-7-[2-[2-[[6-(4-methylphenyl)-2-oxidanylidene-1H-pyridin-3-yl]carbonylamino]phenyl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-[2-[2-[[6-(4-methylphenyl)-2-oxidanylidene-1H-pyridin-3-yl]carbonylamino]phenyl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-8-oxo-7-[[2-[2-[[2-oxo-6-(p-tolyl)-1H-pyridine-3-carbonyl]amino]phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[2-[2-[[[6-(4-methylphenyl)-2-oxo-1H-pyridin-3-yl]-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[[2-[2-[[6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-7-[[2-[2-[[2-keto-6-(p-tolyl)-1H-pyridine-3-carbonyl]amino]phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C31H28N4O8S MolecularWeight: 616.64102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)NC3=CC=CC=C3CC(=O)NC4C5N(C4=O)C(=C(CS5)COC(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)NC3=CC=CC=C3CC(=O)NC4C5N(C4=O)C(=C(CS5)COC(=O)C)C(=O)O

InChI

InChI=1S/C31H28N4O8S/c1-16-7-9-18(10-8-16)23-12-11-21(28(39)33-23)27(38)32-22-6-4-3-5-19(22)13-24(37)34-25-29(40)35-26(31(41)42)20(14-43-17(2)36)15-44-30(25)35/h3-12,25,30H,13-15H2,1-2H3,(H,32,38)(H,33,39)(H,34,37)(H,41,42)