[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-(4-methoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-thiazolecarboxylic acid [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)thiazole-4-carboxylic acid [(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)C2=CSC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC(=O)C2=CSC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21NO4S/c1-13-5-6-14(2)18(11-13)20(24)15(3)27-22(25)19-12-28-21(23-19)16-7-9-17(26-4)10-8-16/h5-12,15H,1-4H3/t15-/m0/s1