ethyl 1-[[5-(1-benzothiophen-2-yl)pyridin-3-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(1-benzothiophen-2-yl)pyridin-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(benzothiophen-2-yl)-3-pyridyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(1-benzothiophen-2-yl)-3-pyridinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(1-benzothiophen-2-yl)pyridin-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(benzothiophen-2-yl)-3-pyridyl]methyl]isonipecotic acid ethyl ester Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CN=CC(=C2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CN=CC(=C2)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O2S/c1-2-26-22(25)17-7-9-24(10-8-17)15-16-11-19(14-23-13-16)21-12-18-5-3-4-6-20(18)27-21/h3-6,11-14,17H,2,7-10,15H2,1H3