[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C#N)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C#N)NC(=O)CC#N

InChI

InChI=1S/C17H12N4O4S/c18-7-5-14(22)20-13-3-1-11(2-4-13)17(24)25-10-15(23)21-16-12(9-19)6-8-26-16/h1-4,6,8H,5,10H2,(H,20,22)(H,21,23)