3-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(phenylmethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(phenylmethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 4-benzyl-3-(4-tert-butyl-3-methoxy-benzoyl)-2-thiazol-2-yl-thiazolidine-4-carboxylic acid CAS Name: 3-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(phenylmethyl)-2-(2-thiazolyl)-4-thiazolidinecarboxylic acid IUPAC Name: 4-benzyl-3-(4-tert-butyl-3-methoxybenzoyl)-2-(1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 4-benzyl-3-(4-tert-butyl-3-methoxy-benzoyl)-2-thiazol-2-yl-thiazolidine-4-carboxylic acid Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C(SCC2(CC3=CC=CC=C3)C(=O)O)C4=NC=CS4)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C(SCC2(CC3=CC=CC=C3)C(=O)O)C4=NC=CS4)OC

InChI

InChI=1S/C26H28N2O4S2/c1-25(2,3)19-11-10-18(14-20(19)32-4)22(29)28-23(21-27-12-13-33-21)34-16-26(28,24(30)31)15-17-8-6-5-7-9-17/h5-14,23H,15-16H2,1-4H3,(H,30,31)