4-(4-bromophenyl)-2-(2,2-dimethylpropanoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-2-(2,2-dimethylpropanoylamino)thiophene-3-carboxylic acid Openeye Name: 4-(4-bromophenyl)-2-(2,2-dimethylpropanoylamino)thiophene-3-carboxylic acid CAS Name: 4-(4-bromophenyl)-2-[(2,2-dimethyl-1-oxopropyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-2-(2,2-dimethylpropanoylamino)thiophene-3-carboxylic acid Traditional Name: 4-(4-bromophenyl)-2-(pivaloylamino)-3-thenoic acid Formula: C16H16BrNO3S MolecularWeight: 382.27214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H16BrNO3S/c1-16(2,3)15(21)18-13-12(14(19)20)11(8-22-13)9-4-6-10(17)7-5-9/h4-8H,1-3H3,(H,18,21)(H,19,20)