ethyl 5-cyano-6-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(p-phenetidino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

InChI=1S/C20H21N3O4S/c1-4-26-16-8-6-15(7-9-16)23-18(24)12-28-19-14(11-21)10-17(13(3)22-19)20(25)27-5-2/h6-10H,4-5,12H2,1-3H3,(H,23,24)