(2-phenyl-1,3-thiazol-4-yl)methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO3S/c1-15-8-9-16(2)19(12-15)20(24)10-11-21(25)26-13-18-14-27-22(23-18)17-6-4-3-5-7-17/h3-9,12,14H,10-11,13H2,1-2H3