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

Systemtic Name: 8-oxidanylidene-7-phenyl-4-(2-sulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-7-phenyl-4-[(2-sulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-[(2-mercapto-1-oxoethyl)amino]-8-oxo-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-phenyl-4-[(2-sulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-4-[(2-mercaptoacetyl)amino]-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H14N2O4S2 MolecularWeight: 350.41266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3N(C2=O)C(=CC(S3)NC(=O)CS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C3N(C2=O)C(=CC(S3)NC(=O)CS)C(=O)O

InChI

InChI=1S/C15H14N2O4S2/c18-10(7-22)16-11-6-9(15(20)21)17-13(19)12(14(17)23-11)8-4-2-1-3-5-8/h1-6,11-12,14,22H,7H2,(H,16,18)(H,20,21)