3-[(2,4-dichlorophenyl)carbonyl-(2-methylpropyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-(2-methylpropyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-isobutyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-(2-methylpropyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-(2-methylpropyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-isobutyl-amino]-5-phenyl-2-thenoic acid Formula: C22H19Cl2NO3S MolecularWeight: 448.36216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)CN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H19Cl2NO3S/c1-13(2)12-25(21(26)16-9-8-15(23)10-17(16)24)18-11-19(29-20(18)22(27)28)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,27,28)