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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1N(C(C)C)C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1N(C(C)C)C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)O)C3=CC=CC=C3

InChI

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