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

Systemtic Name: ethyl 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3S/c1-2-21-17(20)12-7-9-18(10-8-12)16(19)14-11-22-15-6-4-3-5-13(14)15/h11-12H,2-10H2,1H3