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

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]-5-(3-methylphenyl)thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-(m-tolyl)thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]-5-(3-methylphenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]-5-(3-methylphenyl)thiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-(m-tolyl)-2-thenoic acid Formula: C22H19Cl2NO3S MolecularWeight: 448.36216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=C(S2)C(=O)O)N(C(C)C)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=C(S2)C(=O)O)N(C(C)C)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H19Cl2NO3S/c1-12(2)25(21(26)16-8-7-15(23)10-17(16)24)18-11-19(29-20(18)22(27)28)14-6-4-5-13(3)9-14/h4-12H,1-3H3,(H,27,28)