3-methylsulfanyl-8-oxidanylidene-7-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methylsulfanyl-8-oxidanylidene-7-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-hydroxy-2-phenyl-acetyl)amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-3-(methylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-hydroxy-2-phenylacetyl)amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-(mandeloylamino)-3-(methylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)O)SC1)C(=O)O

Isomeric SMILES

CSC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)O)SC1)C(=O)O

InChI

InChI=1S/C16H16N2O5S2/c1-24-9-7-25-15-10(14(21)18(15)11(9)16(22)23)17-13(20)12(19)8-5-3-2-4-6-8/h2-6,10,12,15,19H,7H2,1H3,(H,17,20)(H,22,23)