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

Systemtic Name: 4-methyl-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]-4-methyl-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]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-hydroxy-2-phenylacetyl)amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-(mandeloylamino)-4-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O5S MolecularWeight: 348.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CC1C=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)O)C(=O)O

InChI

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