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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-(benzylamino)-2-keto-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C19H19N3O3S/c1-3-25-19(24)16-9-15(10-20)18(22-13(16)2)26-12-17(23)21-11-14-7-5-4-6-8-14/h4-9H,3,11-12H2,1-2H3,(H,21,23)