[4-[(E)-2-cyano-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(2-thienyl)prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-cyano-3-keto-3-(2-thienyl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H14N2O4S MolecularWeight: 390.41186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CS2)OC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CS2)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H14N2O4S/c1-26-18-12-14(11-16(13-22)20(24)19-3-2-10-28-19)4-5-17(18)27-21(25)15-6-8-23-9-7-15/h2-12H,1H3/b16-11+