2-[[2-oxidanyl-4-(4-phenylbutanoylcarbamoyl)-1,3-thiazolidin-3-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-oxidanyl-4-(4-phenylbutanoylcarbamoyl)-1,3-thiazolidin-3-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-hydroxy-4-(4-phenylbutanoylcarbamoyl)thiazolidin-3-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-hydroxy-4-[oxo-[(1-oxo-4-phenylbutyl)amino]methyl]-3-thiazolidinyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-hydroxy-4-(4-phenylbutanoylcarbamoyl)-1,3-thiazolidin-3-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-hydroxy-4-(4-phenylbutanoylcarbamoyl)thiazolidin-3-yl]carbamoyl]benzoic acid Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(S1)O)NC(=O)C2=CC=CC=C2C(=O)O)C(=O)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1C(N(C(S1)O)NC(=O)C2=CC=CC=C2C(=O)O)C(=O)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O6S/c26-18(12-6-9-14-7-2-1-3-8-14)23-20(28)17-13-32-22(31)25(17)24-19(27)15-10-4-5-11-16(15)21(29)30/h1-5,7-8,10-11,17,22,31H,6,9,12-13H2,(H,24,27)(H,29,30)(H,23,26,28)