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

Systemtic Name: ethyl 1-[6-(1-benzothiophen-3-yl)-3-thiomorpholin-4-ylcarbonyl-pyridin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(benzothiophen-3-yl)-3-(thiomorpholine-4-carbonyl)-2-pyridyl]piperidine-3-carboxylate CAS Name: 1-[6-(1-benzothiophen-3-yl)-3-[oxo(thiomorpholin-4-yl)methyl]-2-pyridinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(1-benzothiophen-3-yl)-3-(thiomorpholine-4-carbonyl)pyridin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(benzothiophen-3-yl)-3-(thiomorpholine-4-carbonyl)-2-pyridyl]nipecotic acid ethyl ester Formula: C26H29N3O3S2 MolecularWeight: 495.65676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=N2)C3=CSC4=CC=CC=C43)C(=O)N5CCSCC5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=N2)C3=CSC4=CC=CC=C43)C(=O)N5CCSCC5

InChI

InChI=1S/C26H29N3O3S2/c1-2-32-26(31)18-6-5-11-29(16-18)24-20(25(30)28-12-14-33-15-13-28)9-10-22(27-24)21-17-34-23-8-4-3-7-19(21)23/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3