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

Systemtic Name: ethyl 6-[(2R)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(1R)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[(1R)-2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC2=C(C(=CC=C2)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C)C(=O)NC2=C(C(=CC=C2)Cl)C)C

InChI

InChI=1S/C20H20ClN3O3S/c1-5-27-20(26)15-9-14(10-22)19(23-12(15)3)28-13(4)18(25)24-17-8-6-7-16(21)11(17)2/h6-9,13H,5H2,1-4H3,(H,24,25)/t13-/m1/s1