[(2R)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: [(1R)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]acetic acid [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]acetic acid [(1R)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H23N3O4S/c1-12(2)15-5-7-16(8-6-15)23-20(27)14(4)28-19(26)11-29-21-17(10-22)13(3)9-18(25)24-21/h5-9,12,14H,11H2,1-4H3,(H,23,27)(H,24,25)/t14-/m1/s1