ethyl 5-cyano-6-[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[(2-cyanobenzofuran-3-yl)amino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[(2-cyano-3-benzofuranyl)amino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[(2-cyanobenzofuran-3-yl)amino]-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=C(OC3=CC=CC=C32)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=C(OC3=CC=CC=C32)C#N)C

InChI

InChI=1S/C21H16N4O4S/c1-3-28-21(27)15-8-13(9-22)20(24-12(15)2)30-11-18(26)25-19-14-6-4-5-7-16(14)29-17(19)10-23/h4-8H,3,11H2,1-2H3,(H,25,26)