methyl 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)piperidine-4-carboxylate Openeye Name: methyl 1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)isonipecotic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC3=C(S2)CCCC3

InChI

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