3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]-5-(4-ethanoylphenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]-5-(4-ethanoylphenyl)thiophene-2-carboxylic acid Openeye Name: 5-(4-acetylphenyl)-3-[(2,4-dichlorobenzoyl)-isopropyl-amino]thiophene-2-carboxylic acid CAS Name: 5-(4-acetylphenyl)-3-[[(2,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-acetylphenyl)-3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-acetylphenyl)-3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-2-thenoic acid Formula: C23H19Cl2NO4S MolecularWeight: 476.37226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19Cl2NO4S/c1-12(2)26(22(28)17-9-8-16(24)10-18(17)25)19-11-20(31-21(19)23(29)30)15-6-4-14(5-7-15)13(3)27/h4-12H,1-3H3,(H,29,30)