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

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-(propan-2-ylcarbamoylamino)phenyl]thiophene-2-carboxylic acid Openeye Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(isopropylcarbamoylamino)phenyl]thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(propan-2-ylcarbamoylamino)phenyl]thiophene-2-carboxylic acid Traditional Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(isopropylcarbamoylamino)phenyl]-2-thenoic acid Formula: C17H17BrN2O6S MolecularWeight: 457.29568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O6S/c1-8(2)19-17(25)20-10-5-3-4-9(6-10)14-12(18)13(26-7-11(21)22)15(27-14)16(23)24/h3-6,8H,7H2,1-2H3,(H,21,22)(H,23,24)(H2,19,20,25)