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

Systemtic Name: ethyl 5-cyano-6-[(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(1R)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-keto-1-methyl-2-(p-anisidino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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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=CC=C(C=C2)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-5-27-20(25)17-10-14(11-21)19(22-12(17)2)28-13(3)18(24)23-15-6-8-16(26-4)9-7-15/h6-10,13H,5H2,1-4H3,(H,23,24)/t13-/m1/s1