4-[(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(3-cyano-5-methyl-4-phenyl-2-thienyl)amino]-4-oxo-butanoate CAS Name: 4-[(3-cyano-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxobutanoate IUPAC Name: 4-[(3-cyano-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(3-cyano-5-methyl-4-phenyl-2-thienyl)amino]-4-keto-butyrate Formula: C16H13N2O3S- MolecularWeight: 313.35102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCC(=O)[O-])C#N)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCC(=O)[O-])C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H14N2O3S/c1-10-15(11-5-3-2-4-6-11)12(9-17)16(22-10)18-13(19)7-8-14(20)21/h2-6H,7-8H2,1H3,(H,18,19)(H,20,21)/p-1