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

Systemtic Name: 3-methyl-8-oxidanylidene-7-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 7-[(2-hydroxy-2-phenyl-acetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 7-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 7-[(2-hydroxy-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 8-keto-7-(mandeloylamino)-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C16H16N2O5S MolecularWeight: 348.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2C(C(=O)N2C1C(=O)O)NC(=O)C(C3=CC=CC=C3)O

Isomeric SMILES

CC1=CSC2C(C(=O)N2C1C(=O)O)NC(=O)C(C3=CC=CC=C3)O

InChI

InChI=1S/C16H16N2O5S/c1-8-7-24-15-10(14(21)18(15)11(8)16(22)23)17-13(20)12(19)9-5-3-2-4-6-9/h2-7,10-12,15,19H,1H3,(H,17,20)(H,22,23)