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

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-(methoxycarbonylamino)phenyl]thiophene-2-carboxylic acid Openeye Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(methoxycarbonylamino)phenyl]thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(methoxycarbonylamino)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(methoxycarbonylamino)phenyl]thiophene-2-carboxylic acid Traditional Name: 4-bromo-5-[3-(carbomethoxyamino)phenyl]-3-(carboxymethyloxy)-2-thenoic acid Formula: C15H12BrNO7S MolecularWeight: 430.22728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO7S/c1-23-15(22)17-8-4-2-3-7(5-8)12-10(16)11(24-6-9(18)19)13(25-12)14(20)21/h2-5H,6H2,1H3,(H,17,22)(H,18,19)(H,20,21)