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

Systemtic Name: ethyl 1-[6-(1-benzothiophen-3-yl)-3-(2-methoxyethylcarbamoyl)pyridin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(benzothiophen-3-yl)-3-(2-methoxyethylcarbamoyl)-2-pyridyl]piperidine-3-carboxylate CAS Name: 1-[6-(1-benzothiophen-3-yl)-3-[(2-methoxyethylamino)-oxomethyl]-2-pyridinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(1-benzothiophen-3-yl)-3-(2-methoxyethylcarbamoyl)pyridin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(benzothiophen-3-yl)-3-(2-methoxyethylcarbamoyl)-2-pyridyl]nipecotic acid ethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=N2)C3=CSC4=CC=CC=C43)C(=O)NCCOC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=N2)C3=CSC4=CC=CC=C43)C(=O)NCCOC

InChI

InChI=1S/C25H29N3O4S/c1-3-32-25(30)17-7-6-13-28(15-17)23-19(24(29)26-12-14-31-2)10-11-21(27-23)20-16-33-22-9-5-4-8-18(20)22/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,26,29)