7-methoxy-8-oxidanylidene-3-(phenylcarbonylsulfanylmethyl)-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-methoxy-8-oxidanylidene-3-(phenylcarbonylsulfanylmethyl)-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(benzoylsulfanylmethyl)-7-methoxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(benzoylthio)methyl]-7-methoxy-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(benzoylsulfanylmethyl)-7-methoxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(benzoylthio)methyl]-8-keto-7-methoxy-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H22N2O6S2 MolecularWeight: 498.57128

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CSC(=O)C3=CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)CSC(=O)C3=CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O6S2/c1-32-24(25-18(27)12-15-8-4-2-5-9-15)22(31)26-19(20(28)29)17(14-34-23(24)26)13-33-21(30)16-10-6-3-7-11-16/h2-11,23H,12-14H2,1H3,(H,25,27)(H,28,29)