4-(4-bromophenyl)-2-[(4-tert-butylphenyl)carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-2-[(4-tert-butylphenyl)carbonylamino]thiophene-3-carboxylic acid Openeye Name: 4-(4-bromophenyl)-2-[(4-tert-butylbenzoyl)amino]thiophene-3-carboxylic acid CAS Name: 4-(4-bromophenyl)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-2-[(4-tert-butylbenzoyl)amino]thiophene-3-carboxylic acid Traditional Name: 4-(4-bromophenyl)-2-[(4-tert-butylbenzoyl)amino]-3-thenoic acid Formula: C22H20BrNO3S MolecularWeight: 458.3681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C22H20BrNO3S/c1-22(2,3)15-8-4-14(5-9-15)19(25)24-20-18(21(26)27)17(12-28-20)13-6-10-16(23)11-7-13/h4-12H,1-3H3,(H,24,25)(H,26,27)