ethyl 5-cyano-2-methyl-6-(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl)sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl)sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-1-phenyl-2-(1-piperidyl)ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-keto-1-phenyl-2-piperidino-ethyl)thio]-2-methyl-nicotinic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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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)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C2=CC=CC=C2)C(=O)N3CCCCC3)C

InChI

InChI=1S/C23H25N3O3S/c1-3-29-23(28)19-14-18(15-24)21(25-16(19)2)30-20(17-10-6-4-7-11-17)22(27)26-12-8-5-9-13-26/h4,6-7,10-11,14,20H,3,5,8-9,12-13H2,1-2H3