[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)COC(=O)C2=CN=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)COC(=O)C2=CN=CC=C2)C

InChI

InChI=1S/C15H13N3O3S/c1-9-10(2)22-14(12(9)6-16)18-13(19)8-21-15(20)11-4-3-5-17-7-11/h3-5,7H,8H2,1-2H3,(H,18,19)