[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C17H14N2O4S MolecularWeight: 342.36906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2)C#N

InChI

InChI=1S/C17H14N2O4S/c18-10-12-3-1-4-13(9-12)19-16(21)11-23-17(22)7-6-14(20)15-5-2-8-24-15/h1-5,8-9H,6-7,11H2,(H,19,21)