ethyl (2E,4E)-5-azanyl-2,4-dicyano-5-sulfanyl-penta-2,4-dienoate; 4-methylmorpholine

Systemtic Name: ethyl (2E,4E)-5-azanyl-2,4-dicyano-5-sulfanyl-penta-2,4-dienoate; 4-methylmorpholine Openeye Name: ethyl (2E,4E)-5-amino-2,4-dicyano-5-sulfanyl-penta-2,4-dienoate; 4-methylmorpholine CAS Name: (2E,4E)-5-amino-2,4-dicyano-5-mercaptopenta-2,4-dienoic acid ethyl ester; 4-methylmorpholine IUPAC Name: ethyl (2E,4E)-5-amino-2,4-dicyano-5-sulfanylpenta-2,4-dienoate; 4-methylmorpholine Traditional Name: (2E,4E)-5-amino-2,4-dicyano-5-mercapto-penta-2,4-dienoic acid ethyl ester; 4-methylmorpholine Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(=C(N)S)C#N)C#N.CN1CCOCC1

Isomeric SMILES

CCOC(=O)/C(=C/C(=C(/N)\S)/C#N)/C#N.CN1CCOCC1

InChI

InChI=1S/C9H9N3O2S.C5H11NO/c1-2-14-9(13)7(5-11)3-6(4-10)8(12)15;1-6-2-4-7-5-3-6/h3,15H,2,12H2,1H3;2-5H2,1H3/b7-3+,8-6+;