ethyl 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)nipecotic acid ethyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C17H23NO3S/c1-2-21-17(20)13-7-5-9-18(11-13)16(19)15-10-12-6-3-4-8-14(12)22-15/h10,13H,2-9,11H2,1H3