(E)-[5-cyano-4-(4-ethoxycarbonylphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; morpholin-4-ium

Systemtic Name: (E)-[5-cyano-4-(4-ethoxycarbonylphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; morpholin-4-ium Openeye Name: (E)-[5-cyano-4-(4-ethoxycarbonylphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; morpholin-4-ium CAS Name: (E)-[5-cyano-4-(4-ethoxycarbonylphenyl)-6-mercapto-2-methyl-4H-pyridin-3-ylidene]-ethoxymethanolate; morpholin-4-ium IUPAC Name: (E)-[5-cyano-4-(4-ethoxycarbonylphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxymethanolate; morpholin-4-ium Traditional Name: (E)-[4-(4-carbethoxyphenyl)-5-cyano-6-mercapto-2-methyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; morpholin-4-ium Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2C(=C(N=C(C2=C([O-])OCC)C)S)C#N.C1COCC[NH2+]1

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C\2C(=C(N=C(/C2=C(\[O-])/OCC)C)S)C#N.C1COCC[NH2+]1

InChI

InChI=1S/C19H20N2O4S.C4H9NO/c1-4-24-18(22)13-8-6-12(7-9-13)16-14(10-20)17(26)21-11(3)15(16)19(23)25-5-2;1-3-6-4-2-5-1/h6-9,16,23,26H,4-5H2,1-3H3;5H,1-4H2/b19-15-;