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

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-(cyclopentylamino)phenyl]thiophene-2-carboxylic acid Openeye Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(cyclopentylamino)phenyl]thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(cyclopentylamino)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(cyclopentylamino)phenyl]thiophene-2-carboxylic acid Traditional Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(cyclopentylamino)phenyl]-2-thenoic acid Formula: C18H18BrNO5S MolecularWeight: 440.30822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

Isomeric SMILES

C1CCC(C1)NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

InChI

InChI=1S/C18H18BrNO5S/c19-14-15(25-9-13(21)22)17(18(23)24)26-16(14)10-4-3-7-12(8-10)20-11-5-1-2-6-11/h3-4,7-8,11,20H,1-2,5-6,9H2,(H,21,22)(H,23,24)