3-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-phenyl-4-(pyrazol-1-ylmethyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-phenyl-4-(pyrazol-1-ylmethyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(4-tert-butyl-3-methoxy-benzoyl)-2-phenyl-4-(pyrazol-1-ylmethyl)thiazolidine-4-carboxylic acid CAS Name: 3-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-phenyl-4-(1-pyrazolylmethyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(4-tert-butyl-3-methoxybenzoyl)-2-phenyl-4-(pyrazol-1-ylmethyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(4-tert-butyl-3-methoxy-benzoyl)-2-phenyl-4-(pyrazol-1-ylmethyl)thiazolidine-4-carboxylic acid Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C(SCC2(CN3C=CC=N3)C(=O)O)C4=CC=CC=C4)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C(SCC2(CN3C=CC=N3)C(=O)O)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H29N3O4S/c1-25(2,3)20-12-11-19(15-21(20)33-4)22(30)29-23(18-9-6-5-7-10-18)34-17-26(29,24(31)32)16-28-14-8-13-27-28/h5-15,23H,16-17H2,1-4H3,(H,31,32)