ethanedioic acid; ethyl 2-(2-piperidin-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-(2-piperidin-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-piperidyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate; oxalic acid CAS Name: oxalic acid; 2-[[1-oxo-2-(1-piperidinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; oxalic acid Traditional Name: oxalic acid; 2-[(2-piperidinoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N2O3S.C2H2O4/c1-2-23-18(22)16-13-8-4-5-9-14(13)24-17(16)19-15(21)12-20-10-6-3-7-11-20;3-1(4)2(5)6/h2-12H2,1H3,(H,19,21);(H,3,4)(H,5,6)