[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCC(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCC(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H23NO3S/c1-15-5-8-18(9-6-15)23-24-19(14-28-23)13-27-22(26)11-10-21(25)20-12-16(2)4-7-17(20)3/h4-9,12,14H,10-11,13H2,1-3H3