ethyl 5-cyano-6-[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(1S)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1S)-2-keto-1-methyl-2-(p-phenetidino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

InChI=1S/C21H23N3O4S/c1-5-27-17-9-7-16(8-10-17)24-19(25)14(4)29-20-15(12-22)11-18(13(3)23-20)21(26)28-6-2/h7-11,14H,5-6H2,1-4H3,(H,24,25)/t14-/m0/s1