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

Systemtic Name: ethanedioic acid; ethyl 2-(3-morpholin-4-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(3-morpholinopropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate; oxalic acid CAS Name: 2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-(3-morpholin-4-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; oxalic acid Traditional Name: 2-(3-morpholinopropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C20H28N2O8S MolecularWeight: 456.50992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3CCOCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3CCOCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N2O4S.C2H2O4/c1-2-24-18(22)16-13-5-3-4-6-14(13)25-17(16)19-15(21)7-8-20-9-11-23-12-10-20;3-1(4)2(5)6/h2-12H2,1H3,(H,19,21);(H,3,4)(H,5,6)