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

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-(1-oxidanylpropan-2-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-(2-hydroxy-1-methyl-ethyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-(1-hydroxypropan-2-yl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-(1-hydroxypropan-2-yl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-(2-hydroxy-1-methyl-ethyl)amino]-5-phenyl-2-thenoic acid Formula: C21H17Cl2NO4S MolecularWeight: 450.33498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2NO4S/c1-12(11-25)24(20(26)15-8-7-14(22)9-16(15)23)17-10-18(29-19(17)21(27)28)13-5-3-2-4-6-13/h2-10,12,25H,11H2,1H3,(H,27,28)