N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-yl-ethanamide; ethanedioic acid

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-yl-ethanamide; ethanedioic acid Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-morpholino-acetamide; oxalic acid CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-morpholinyl)acetamide; oxalic acid IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ylacetamide; oxalic acid Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-morpholino-acetamide; oxalic acid Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCOCC3)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCOCC3)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H19N3O2S.C2H2O4/c16-9-12-11-3-1-2-4-13(11)21-15(12)17-14(19)10-18-5-7-20-8-6-18;3-1(4)2(5)6/h1-8,10H2,(H,17,19);(H,3,4)(H,5,6)