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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC(C)CCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N[C@H](C)CCC2=CC=CC=C2)C

InChI

InChI=1S/C22H25N3O3S/c1-4-28-22(27)19-12-18(13-23)21(25-16(19)3)29-14-20(26)24-15(2)10-11-17-8-6-5-7-9-17/h5-9,12,15H,4,10-11,14H2,1-3H3,(H,24,26)/t15-/m1/s1