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

Systemtic Name: ethyl 1-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(3-methoxyphenyl)methyl]isonipecotic acid ethyl ester Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4S/c1-4-32-26(30)18-12-14-28(15-13-18)24(19-8-7-9-20(16-19)31-3)23-21-10-5-6-11-22(21)33-25(23)27-17(2)29/h7-9,16,18,24H,4-6,10-15H2,1-3H3,(H,27,29)