ethyl 1-[6-(1-benzothiophen-2-yl)-3-(dimethylcarbamoyl)pyridin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-(1-benzothiophen-2-yl)-3-(dimethylcarbamoyl)pyridin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(benzothiophen-2-yl)-3-(dimethylcarbamoyl)-2-pyridyl]piperidine-3-carboxylate CAS Name: 1-[6-(1-benzothiophen-2-yl)-3-[dimethylamino(oxo)methyl]-2-pyridinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(1-benzothiophen-2-yl)-3-(dimethylcarbamoyl)pyridin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(benzothiophen-2-yl)-3-(dimethylcarbamoyl)-2-pyridyl]nipecotic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=N2)C3=CC4=CC=CC=C4S3)C(=O)N(C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=N2)C3=CC4=CC=CC=C4S3)C(=O)N(C)C

InChI

InChI=1S/C24H27N3O3S/c1-4-30-24(29)17-9-7-13-27(15-17)22-18(23(28)26(2)3)11-12-19(25-22)21-14-16-8-5-6-10-20(16)31-21/h5-6,8,10-12,14,17H,4,7,9,13,15H2,1-3H3