ethyl 5-cyano-6-[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(dimethylamino)-2-oxo-1-phenyl-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(dimethylamino)-2-oxo-1-phenylethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(dimethylamino)-2-keto-1-phenyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C2=CC=CC=C2)C(=O)N(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C2=CC=CC=C2)C(=O)N(C)C)C

InChI

InChI=1S/C20H21N3O3S/c1-5-26-20(25)16-11-15(12-21)18(22-13(16)2)27-17(19(24)23(3)4)14-9-7-6-8-10-14/h6-11,17H,5H2,1-4H3