7-(2-cyanoethanoylamino)-3-(2-cyanophenyl)sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2-cyanoethanoylamino)-3-(2-cyanophenyl)sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-cyanoacetyl)amino]-3-(2-cyanophenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-cyano-1-oxoethyl)amino]-3-[(2-cyanophenyl)thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-cyanoacetyl)amino]-3-(2-cyanophenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-cyanoacetyl)amino]-3-[(2-cyanophenyl)thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H12N4O4S2 MolecularWeight: 400.43158

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC#N)C(=O)O)SC3=CC=CC=C3C#N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC#N)C(=O)O)SC3=CC=CC=C3C#N

InChI

InChI=1S/C17H12N4O4S2/c18-6-5-12(22)20-13-15(23)21-14(17(24)25)11(8-26-16(13)21)27-10-4-2-1-3-9(10)7-19/h1-4,13,16H,5,8H2,(H,20,22)(H,24,25)