3-[tert-butyl-(2,4-dichlorophenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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