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

Systemtic Name: ethyl 1-[6-(1-benzothiophen-2-yl)-3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-pyridin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(benzothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-pyridyl]piperidine-3-carboxylate CAS Name: 1-[6-(1-benzothiophen-2-yl)-3-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-2-pyridinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(1-benzothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(benzothiophen-2-yl)-3-[4-(2-furoyl)piperazine-1-carbonyl]-2-pyridyl]nipecotic acid ethyl ester Formula: C31H32N4O5S MolecularWeight: 572.67458

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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)N5CCN(CC5)C(=O)C6=CC=CO6

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=N2)C3=CC4=CC=CC=C4S3)C(=O)N5CCN(CC5)C(=O)C6=CC=CO6

InChI

InChI=1S/C31H32N4O5S/c1-2-39-31(38)22-8-5-13-35(20-22)28-23(11-12-24(32-28)27-19-21-7-3-4-10-26(21)41-27)29(36)33-14-16-34(17-15-33)30(37)25-9-6-18-40-25/h3-4,6-7,9-12,18-19,22H,2,5,8,13-17,20H2,1H3