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

Systemtic Name: ethyl 1-[2-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyloxy]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)oxyacetyl]isonipecotic acid ethyl ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C21H28N2O6S/c1-3-28-20(26)14-8-10-23(11-9-14)17(25)12-29-21(27)18-15-6-4-5-7-16(15)30-19(18)22-13(2)24/h14H,3-12H2,1-2H3,(H,22,24)