4-(azepan-1-yl)-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 4-(azepan-1-yl)-3-methyl-thiophene-2-carboxylic acid Openeye Name: 4-(azepan-1-yl)-3-methyl-thiophene-2-carboxylic acid CAS Name: 4-(1-azepanyl)-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 4-(azepan-1-yl)-3-methylthiophene-2-carboxylic acid Traditional Name: 4-(azepan-1-yl)-3-methyl-2-thenoic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1N2CCCCCC2)C(=O)O

Isomeric SMILES

CC1=C(SC=C1N2CCCCCC2)C(=O)O

InChI

InChI=1S/C12H17NO2S/c1-9-10(8-16-11(9)12(14)15)13-6-4-2-3-5-7-13/h8H,2-7H2,1H3,(H,14,15)