[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCC3=C(NC(=O)C(=C3C)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCC3=C(NC(=O)C(=C3C)C#N)C

InChI

InChI=1S/C22H21N3O3S/c1-13-4-6-16(7-5-13)22-25-17(12-29-22)11-28-20(26)9-8-18-14(2)19(10-23)21(27)24-15(18)3/h4-7,12H,8-9,11H2,1-3H3,(H,24,27)