5-(1-benzofuran-2-yl)-3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(1-benzofuran-2-yl)-3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(benzofuran-2-yl)-3-[(2,4-dichlorobenzoyl)-isopropyl-amino]thiophene-2-carboxylic acid CAS Name: 5-(2-benzofuranyl)-3-[[(2,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(1-benzofuran-2-yl)-3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(benzofuran-2-yl)-3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-2-thenoic acid Formula: C23H17Cl2NO4S MolecularWeight: 474.35638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=CC3=CC=CC=C3O2)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC3=CC=CC=C3O2)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H17Cl2NO4S/c1-12(2)26(22(27)15-8-7-14(24)10-16(15)25)17-11-20(31-21(17)23(28)29)19-9-13-5-3-4-6-18(13)30-19/h3-12H,1-2H3,(H,28,29)