4-(azepan-1-yl)-3-methyl-thiophene-2-carboxylate

Systemtic Name: 4-(azepan-1-yl)-3-methyl-thiophene-2-carboxylate Openeye Name: 4-(azepan-1-yl)-3-methyl-thiophene-2-carboxylate CAS Name: 4-(1-azepanyl)-3-methyl-2-thiophenecarboxylate IUPAC Name: 4-(azepan-1-yl)-3-methylthiophene-2-carboxylate Traditional Name: 4-(azepan-1-yl)-3-methyl-2-thenoate Formula: C12H16NO2S- MolecularWeight: 238.32594

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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)/p-1