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

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-(cycloheptylamino)phenyl]thiophene-2-carboxylic acid Openeye Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(cycloheptylamino)phenyl]thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(cycloheptylamino)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(cycloheptylamino)phenyl]thiophene-2-carboxylic acid Traditional Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(cycloheptylamino)phenyl]-2-thenoic acid Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

Isomeric SMILES

C1CCCC(CC1)NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

InChI

InChI=1S/C20H22BrNO5S/c21-16-17(27-11-15(23)24)19(20(25)26)28-18(16)12-6-5-9-14(10-12)22-13-7-3-1-2-4-8-13/h5-6,9-10,13,22H,1-4,7-8,11H2,(H,23,24)(H,25,26)