3-methyl-8-oxidanylidene-7-[2-(2-phenylmethoxycarbonylphenyl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methyl-8-oxidanylidene-7-[2-(2-phenylmethoxycarbonylphenyl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-benzyloxycarbonylphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methyl-8-oxo-7-[[1-oxo-2-(2-phenylmethoxycarbonylphenyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-8-oxo-7-[[2-(2-phenylmethoxycarbonylphenyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-carbobenzoxyphenyl)acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3C(=O)OCC4=CC=CC=C4)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3C(=O)OCC4=CC=CC=C4)SC1)C(=O)O

InChI

InChI=1S/C24H22N2O6S/c1-14-13-33-22-19(21(28)26(22)20(14)23(29)30)25-18(27)11-16-9-5-6-10-17(16)24(31)32-12-15-7-3-2-4-8-15/h2-10,19,22H,11-13H2,1H3,(H,25,27)(H,29,30)