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

Systemtic Name: ethyl 5-cyano-6-[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(1S)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1S)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-5-24(17-10-8-7-9-11-17)20(25)15(4)28-19-16(13-22)12-18(14(3)23-19)21(26)27-6-2/h7-12,15H,5-6H2,1-4H3/t15-/m0/s1