4-cyano-5-methylsulfanyl-3-(1-morpholin-4-ylethylideneamino)thiophene-2-carboxylate; morpholin-4-ium

Systemtic Name: 4-cyano-5-methylsulfanyl-3-(1-morpholin-4-ylethylideneamino)thiophene-2-carboxylate; morpholin-4-ium Openeye Name: 4-cyano-5-methylsulfanyl-3-(1-morpholinoethylideneamino)thiophene-2-carboxylate; morpholin-4-ium CAS Name: 4-cyano-5-(methylthio)-3-[1-(4-morpholinyl)ethylideneamino]-2-thiophenecarboxylate; morpholin-4-ium IUPAC Name: 4-cyano-5-methylsulfanyl-3-(1-morpholin-4-ylethylideneamino)thiophene-2-carboxylate; morpholin-4-ium Traditional Name: 4-cyano-5-(methylthio)-3-(1-morpholinoethylideneamino)-2-thenoate; morpholin-4-ium Formula: C17H24N4O4S2 MolecularWeight: 412.52686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=C(SC(=C1C#N)SC)C(=O)[O-])N2CCOCC2.C1COCC[NH2+]1

Isomeric SMILES

CC(=NC1=C(SC(=C1C#N)SC)C(=O)[O-])N2CCOCC2.C1COCC[NH2+]1

InChI

InChI=1S/C13H15N3O3S2.C4H9NO/c1-8(16-3-5-19-6-4-16)15-10-9(7-14)13(20-2)21-11(10)12(17)18;1-3-6-4-2-5-1/h3-6H2,1-2H3,(H,17,18);5H,1-4H2