4-(azepan-1-ylmethyl)thiophene-2-carboxylic acid

Systemtic Name: 4-(azepan-1-ylmethyl)thiophene-2-carboxylic acid Openeye Name: 4-(azepan-1-ylmethyl)thiophene-2-carboxylic acid CAS Name: 4-(1-azepanylmethyl)-2-thiophenecarboxylic acid IUPAC Name: 4-(azepan-1-ylmethyl)thiophene-2-carboxylic acid Traditional Name: 4-(azepan-1-ylmethyl)-2-thenoic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CSC(=C2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)CC2=CSC(=C2)C(=O)O

InChI

InChI=1S/C12H17NO2S/c14-12(15)11-7-10(9-16-11)8-13-5-3-1-2-4-6-13/h7,9H,1-6,8H2,(H,14,15)