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

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-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 [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 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 [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)CSC2=C(C(=CC(=O)N2)C)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)CSC2=C(C(=CC(=O)N2)C)C#N

InChI

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