3-(3,3-dimethylbutanoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(3,3-dimethylbutanoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3-(3,3-dimethylbutanoyl)thiazolidine-4-carboxylic acid CAS Name: 3-(3,3-dimethyl-1-oxobutyl)-2-(4-phenylmethoxyphenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(3,3-dimethylbutanoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3-(3,3-dimethylbutanoyl)thiazolidine-4-carboxylic acid Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1C(CSC1C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)N1C(CSC1C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H27NO4S/c1-23(2,3)13-20(25)24-19(22(26)27)15-29-21(24)17-9-11-18(12-10-17)28-14-16-7-5-4-6-8-16/h4-12,19,21H,13-15H2,1-3H3,(H,26,27)