7-azanyl-3-[(3-carboxy-4-nitro-phenyl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[(3-carboxy-4-nitro-phenyl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(3-carboxy-4-nitro-phenyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[(3-carboxy-4-nitrophenyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(3-carboxy-4-nitrophenyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[[(3-carboxy-4-nitro-phenyl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H13N3O7S2 MolecularWeight: 411.40962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H13N3O7S2/c16-10-12(19)17-11(15(22)23)6(5-27-13(10)17)4-26-7-1-2-9(18(24)25)8(3-7)14(20)21/h1-3,10,13H,4-5,16H2,(H,20,21)(H,22,23)