(7S)-3-methyl-7-(2-phenoxyethanoylamino)-8-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (7S)-3-methyl-7-(2-phenoxyethanoylamino)-8-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (7S)-3-methyl-7-[(2-phenoxyacetyl)amino]-8-thioxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (7S)-3-methyl-7-[(1-oxo-2-phenoxyethyl)amino]-8-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (7S)-3-methyl-7-[(2-phenoxyacetyl)amino]-8-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (7S)-3-methyl-7-[(2-phenoxyacetyl)amino]-8-thioxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O4S2 MolecularWeight: 364.43924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=S)NC(=O)COC3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C([C@@H](C2=S)NC(=O)COC3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C16H16N2O4S2/c1-9-8-24-15-12(14(23)18(15)13(9)16(20)21)17-11(19)7-22-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,20,21)/t12-,15?/m1/s1