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

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]-5-(5-ethanoylthiophen-2-yl)thiophene-2-carboxylic acid Openeye Name: 5-(5-acetyl-2-thienyl)-3-[(2,4-dichlorobenzoyl)-isopropyl-amino]thiophene-2-carboxylic acid CAS Name: 5-(5-acetyl-2-thiophenyl)-3-[[(2,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(5-acetylthiophen-2-yl)-3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(5-acetyl-2-thienyl)-3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-2-thenoic acid Formula: C21H17Cl2NO4S2 MolecularWeight: 482.39998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=CC=C(S2)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(S2)C(=O)C)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H17Cl2NO4S2/c1-10(2)24(20(26)13-5-4-12(22)8-14(13)23)15-9-18(30-19(15)21(27)28)17-7-6-16(29-17)11(3)25/h4-10H,1-3H3,(H,27,28)