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

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-[cyclohexyl(phenylcarbonyl)amino]phenyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[benzoyl(cyclohexyl)amino]phenyl]-4-bromo-3-(carboxymethyloxy)thiophene-2-carboxylic acid CAS Name: 5-[3-[benzoyl(cyclohexyl)amino]phenyl]-4-bromo-3-(carboxymethyloxy)-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[benzoyl(cyclohexyl)amino]phenyl]-4-bromo-3-(carboxymethyloxy)thiophene-2-carboxylic acid Traditional Name: 5-[3-[benzoyl(cyclohexyl)amino]phenyl]-4-bromo-3-(carboxymethyloxy)-2-thenoic acid Formula: C26H24BrNO6S MolecularWeight: 558.44086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24BrNO6S/c27-21-22(34-15-20(29)30)24(26(32)33)35-23(21)17-10-7-13-19(14-17)28(18-11-5-2-6-12-18)25(31)16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,29,30)(H,32,33)