4-bromanyl-3-(carboxymethyloxy)-5-[4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]thiophene-2-carboxylic acid

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]thiophene-2-carboxylic acid Openeye Name: 4-bromo-3-(carboxymethyloxy)-5-[4-[(3-hydroxy-3-oxo-propanoyl)amino]phenyl]thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-[4-[(3-hydroxy-1,3-dioxopropyl)amino]phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-3-(carboxymethyloxy)-5-[4-[(3-hydroxy-3-oxopropanoyl)amino]phenyl]thiophene-2-carboxylic acid Traditional Name: 4-bromo-3-(carboxymethyloxy)-5-[4-[(3-hydroxy-3-keto-propanoyl)amino]phenyl]-2-thenoic acid Formula: C16H12BrNO8S MolecularWeight: 458.23738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C(S2)C(=O)O)OCC(=O)O)Br)NC(=O)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C(S2)C(=O)O)OCC(=O)O)Br)NC(=O)CC(=O)O

InChI

InChI=1S/C16H12BrNO8S/c17-12-13(26-6-11(22)23)15(16(24)25)27-14(12)7-1-3-8(4-2-7)18-9(19)5-10(20)21/h1-4H,5-6H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)