2-(4-tert-butylphenyl)-3-(4-methyl-3-nitro-phenyl)carbonyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-3-(4-methyl-3-nitro-phenyl)carbonyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-3-(4-methyl-3-nitro-benzoyl)thiazolidine-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-3-[(4-methyl-3-nitrophenyl)-oxomethyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-3-(4-methyl-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-3-(4-methyl-3-nitro-benzoyl)thiazolidine-4-carboxylic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2C(CSC2C3=CC=C(C=C3)C(C)(C)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C(CSC2C3=CC=C(C=C3)C(C)(C)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5S/c1-13-5-6-15(11-17(13)24(28)29)19(25)23-18(21(26)27)12-30-20(23)14-7-9-16(10-8-14)22(2,3)4/h5-11,18,20H,12H2,1-4H3,(H,26,27)