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

Systemtic Name: 5-(4-carboxyphenyl)-3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(4-carboxyphenyl)-3-[(2,4-dichlorobenzoyl)-isopropyl-amino]thiophene-2-carboxylic acid CAS Name: 5-(4-carboxyphenyl)-3-[[(2,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-carboxyphenyl)-3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-carboxyphenyl)-3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-2-thenoic acid Formula: C22H17Cl2NO5S MolecularWeight: 478.34508

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H17Cl2NO5S/c1-11(2)25(20(26)15-8-7-14(23)9-16(15)24)17-10-18(31-19(17)22(29)30)12-3-5-13(6-4-12)21(27)28/h3-11H,1-2H3,(H,27,28)(H,29,30)