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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(1R)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[(2R)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[(1R)-2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl]thio]-5-cyano-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)N(C)CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C)C(=O)N(C)CC2=CC=CC=C2)C

InChI

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