4-bromanyl-3-(carboxymethyloxy)-5-[3-(propanoylamino)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-(propanoylamino)phenyl]thiophene-2-carboxylic acid Openeye Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(propanoylamino)phenyl]thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(1-oxopropylamino)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(propanoylamino)phenyl]thiophene-2-carboxylic acid Traditional Name: 4-bromo-3-(carboxymethyloxy)-5-(3-propionamidophenyl)-2-thenoic acid Formula: C16H14BrNO6S MolecularWeight: 428.25446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)C2=C(C(=C(S2)C(=O)O)OCC(=O)O)Br

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)C2=C(C(=C(S2)C(=O)O)OCC(=O)O)Br

InChI

InChI=1S/C16H14BrNO6S/c1-2-10(19)18-9-5-3-4-8(6-9)14-12(17)13(24-7-11(20)21)15(25-14)16(22)23/h3-6H,2,7H2,1H3,(H,18,19)(H,20,21)(H,22,23)