methyl 5-(azepan-1-yl)thiophene-2-carboxylate

Systemtic Name: methyl 5-(azepan-1-yl)thiophene-2-carboxylate Openeye Name: methyl 5-(azepan-1-yl)thiophene-2-carboxylate CAS Name: 5-(1-azepanyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(azepan-1-yl)thiophene-2-carboxylate Traditional Name: 5-(azepan-1-yl)thiophene-2-carboxylic acid methyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)N2CCCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(S1)N2CCCCCC2

InChI

InChI=1S/C12H17NO2S/c1-15-12(14)10-6-7-11(16-10)13-8-4-2-3-5-9-13/h6-7H,2-5,8-9H2,1H3