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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(1R)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NCC2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C)C(=O)NCC2=CC=C(C=C2)C)C

InChI

InChI=1S/C21H23N3O3S/c1-5-27-21(26)18-10-17(11-22)20(24-14(18)3)28-15(4)19(25)23-12-16-8-6-13(2)7-9-16/h6-10,15H,5,12H2,1-4H3,(H,23,25)/t15-/m1/s1