3-(azocan-1-ylmethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(azocan-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(azocan-1-ylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-(1-azocanylmethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(azocan-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(azocan-1-ylmethyl)benzothiophene-2-carboxylic acid Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CC2=C(SC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCCN(CCC1)CC2=C(SC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H21NO2S/c19-17(20)16-14(13-8-4-5-9-15(13)21-16)12-18-10-6-2-1-3-7-11-18/h4-5,8-9H,1-3,6-7,10-12H2,(H,19,20)