[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-methylthiophene-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-methylthiophene-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-methylthiophene-2-carboxylate CAS Name: 3-methyl-2-thiophenecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate Traditional Name: 3-methylthiophene-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(SC=C1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C14H19NO3S/c1-11-6-9-19-13(11)14(17)18-10-12(16)15-7-4-2-3-5-8-15/h6,9H,2-5,7-8,10H2,1H3