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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(2S)-1-oxo-1-(propylamino)propan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC(=C(C=C1C#N)C(=O)OCC)C

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NC(=C(C=C1C#N)C(=O)OCC)C

InChI

InChI=1S/C16H21N3O3S/c1-5-7-18-14(20)11(4)23-15-12(9-17)8-13(10(3)19-15)16(21)22-6-2/h8,11H,5-7H2,1-4H3,(H,18,20)/t11-/m0/s1