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

Systemtic Name: ethanedioic acid; ethyl 2-(2-morpholin-4-ylethanoylamino)-7-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 7-hydroxy-2-[(2-morpholinoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate; oxalic acid CAS Name: 7-hydroxy-2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 7-hydroxy-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; oxalic acid Traditional Name: 7-hydroxy-2-[(2-morpholinoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C19H26N2O9S MolecularWeight: 458.48274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2O)NC(=O)CN3CCOCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2O)NC(=O)CN3CCOCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H24N2O5S.C2H2O4/c1-2-24-17(22)14-11-4-3-5-12(20)15(11)25-16(14)18-13(21)10-19-6-8-23-9-7-19;3-1(4)2(5)6/h12,20H,2-10H2,1H3,(H,18,21);(H,3,4)(H,5,6)