4-bromanyl-3-(carboxymethyloxy)-5-[3-[cyclohexyl(methylcarbamoyl)amino]phenyl]thiophene-2-carboxylic acid

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-[cyclohexyl(methylcarbamoyl)amino]phenyl]thiophene-2-carboxylic acid Openeye Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[cyclohexyl(methylcarbamoyl)amino]phenyl]thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[cyclohexyl(methylcarbamoyl)amino]phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[cyclohexyl(methylcarbamoyl)amino]phenyl]thiophene-2-carboxylic acid Traditional Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[cyclohexyl(methylcarbamoyl)amino]phenyl]-2-thenoic acid Formula: C21H23BrN2O6S MolecularWeight: 511.38612

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N(C1CCCCC1)C2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

Isomeric SMILES

CNC(=O)N(C1CCCCC1)C2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

InChI

InChI=1S/C21H23BrN2O6S/c1-23-21(29)24(13-7-3-2-4-8-13)14-9-5-6-12(10-14)18-16(22)17(30-11-15(25)26)19(31-18)20(27)28/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,23,29)(H,25,26)(H,27,28)