methyl 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperidine-4-carboxylate Openeye Name: methyl 1-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)isonipecotic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CSC3=C2CCCC3

InChI

InChI=1S/C16H21NO3S/c1-20-16(19)11-6-8-17(9-7-11)15(18)13-10-21-14-5-3-2-4-12(13)14/h10-11H,2-9H2,1H3