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

Systemtic Name: 3-(azepan-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(azepan-1-ylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-(1-azepanylmethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(azepan-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(azepan-1-ylmethyl)benzothiophene-2-carboxylic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(SC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(SC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H19NO2S/c18-16(19)15-13(11-17-9-5-1-2-6-10-17)12-7-3-4-8-14(12)20-15/h3-4,7-8H,1-2,5-6,9-11H2,(H,18,19)