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

Systemtic Name: 7-azanyl-3-[4-(cyanoamino)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[4-(cyanoamino)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[4-(cyanoamino)phenyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[4-(cyanoamino)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[[4-(cyanoamino)phenyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H12N4O3S2 MolecularWeight: 348.40008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)SC3=CC=C(C=C3)NC#N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)SC3=CC=C(C=C3)NC#N

InChI

InChI=1S/C14H12N4O3S2/c15-6-17-7-1-3-8(4-2-7)23-9-5-22-13-10(16)12(19)18(13)11(9)14(20)21/h1-4,10,13,17H,5,16H2,(H,20,21)