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

Systemtic Name: ethyl 5-cyano-6-[(2R)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(1R)-2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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)C)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-6-28-21(26)16-10-15(11-22)20(23-13(16)3)29-14(4)19(25)24-17-9-12(2)7-8-18(17)27-5/h7-10,14H,6H2,1-5H3,(H,24,25)/t14-/m1/s1