ethyl 1-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-pyridin-2-yl-methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-pyridin-2-yl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(2-pyridyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate Traditional Name: 1-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(2-pyridyl)methyl]isonipecotic acid ethyl ester Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC=CC=N2)C3=C(SC4=C3CCCC4)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC=CC=N2)C3=C(SC4=C3CCCC4)NC(=O)C

InChI

InChI=1S/C24H31N3O3S/c1-3-30-24(29)17-11-14-27(15-12-17)22(19-9-6-7-13-25-19)21-18-8-4-5-10-20(18)31-23(21)26-16(2)28/h6-7,9,13,17,22H,3-5,8,10-12,14-15H2,1-2H3,(H,26,28)