3-(azepan-1-ylmethyl)-4-fluoranyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(azepan-1-ylmethyl)-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(azepan-1-ylmethyl)-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-(1-azepanylmethyl)-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(azepan-1-ylmethyl)-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(azepan-1-ylmethyl)-4-fluoro-benzothiophene-2-carboxylic acid Formula: C16H18FNO2S MolecularWeight: 307.383023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FNO2S/c17-12-6-5-7-13-14(12)11(15(21-13)16(19)20)10-18-8-3-1-2-4-9-18/h5-7H,1-4,8-10H2,(H,19,20)