(E)-[5-cyano-4-(furan-3-yl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-prop-2-enoxy-methanolate; 4-methylmorpholin-4-ium

Systemtic Name: (E)-[5-cyano-4-(furan-3-yl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-prop-2-enoxy-methanolate; 4-methylmorpholin-4-ium Openeye Name: (E)-allyloxy-[5-cyano-4-(3-furyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]methanolate; 4-methylmorpholin-4-ium CAS Name: (E)-[5-cyano-4-(3-furanyl)-6-mercapto-2-methyl-4H-pyridin-3-ylidene]-prop-2-enoxymethanolate; 4-methylmorpholin-4-ium IUPAC Name: (E)-[5-cyano-4-(furan-3-yl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-prop-2-enoxymethanolate; 4-methylmorpholin-4-ium Traditional Name: (E)-allyloxy-[5-cyano-4-(3-furyl)-6-mercapto-2-methyl-4H-pyridin-3-ylidene]methanolate; 4-methylmorpholin-4-ium Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C([O-])OCC=C)C2=COC=C2)C#N)S.C[NH+]1CCOCC1

Isomeric SMILES

CC\1=NC(=C(C(/C1=C(/[O-])\OCC=C)C2=COC=C2)C#N)S.C[NH+]1CCOCC1

InChI

InChI=1S/C15H14N2O3S.C5H11NO/c1-3-5-20-15(18)12-9(2)17-14(21)11(7-16)13(12)10-4-6-19-8-10;1-6-2-4-7-5-3-6/h3-4,6,8,13,18,21H,1,5H2,2H3;2-5H2,1H3/b15-12-;