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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=CN=CC(=C2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=CN=CC(=C2)C3=CC4=CC=CC=C4S3

InChI

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