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

Systemtic Name: 3-(3-bromanyl-4-tert-butyl-phenyl)carbonyl-4-(pyrazol-1-ylmethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(3-bromo-4-tert-butyl-benzoyl)-4-(pyrazol-1-ylmethyl)-2-thiazol-2-yl-thiazolidine-4-carboxylic acid CAS Name: 3-[(3-bromo-4-tert-butylphenyl)-oxomethyl]-4-(1-pyrazolylmethyl)-2-(2-thiazolyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(3-bromo-4-tert-butylbenzoyl)-4-(pyrazol-1-ylmethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(3-bromo-4-tert-butyl-benzoyl)-4-(pyrazol-1-ylmethyl)-2-thiazol-2-yl-thiazolidine-4-carboxylic acid Formula: C22H23BrN4O3S2 MolecularWeight: 535.47702

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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=NC=CS4)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C(SCC2(CN3C=CC=N3)C(=O)O)C4=NC=CS4)Br

InChI

InChI=1S/C22H23BrN4O3S2/c1-21(2,3)15-6-5-14(11-16(15)23)18(28)27-19(17-24-8-10-31-17)32-13-22(27,20(29)30)12-26-9-4-7-25-26/h4-11,19H,12-13H2,1-3H3,(H,29,30)