ethyl 1-[3-(4-aminocarbonylpiperidin-1-yl)carbonyl-6-(1-benzothiophen-2-yl)pyridin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(4-aminocarbonylpiperidin-1-yl)carbonyl-6-(1-benzothiophen-2-yl)pyridin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(benzothiophen-2-yl)-3-(4-carbamoylpiperidine-1-carbonyl)-2-pyridyl]piperidine-3-carboxylate CAS Name: 1-[6-(1-benzothiophen-2-yl)-3-[(4-carbamoyl-1-piperidinyl)-oxomethyl]-2-pyridinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(1-benzothiophen-2-yl)-3-(4-carbamoylpiperidine-1-carbonyl)pyridin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(benzothiophen-2-yl)-3-(4-carbamoylpiperidine-1-carbonyl)-2-pyridyl]nipecotic acid ethyl ester Formula: C28H32N4O4S MolecularWeight: 520.64308

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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)N5CCC(CC5)C(=O)N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=N2)C3=CC4=CC=CC=C4S3)C(=O)N5CCC(CC5)C(=O)N

InChI

InChI=1S/C28H32N4O4S/c1-2-36-28(35)20-7-5-13-32(17-20)26-21(27(34)31-14-11-18(12-15-31)25(29)33)9-10-22(30-26)24-16-19-6-3-4-8-23(19)37-24/h3-4,6,8-10,16,18,20H,2,5,7,11-15,17H2,1H3,(H2,29,33)