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

Systemtic Name: (E)-[5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; morpholin-4-ium Openeye Name: (E)-[5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; morpholin-4-ium CAS Name: (E)-[5-cyano-6-mercapto-4-(4-methoxycarbonylphenyl)-2-methyl-4H-pyridin-3-ylidene]-ethoxymethanolate; morpholin-4-ium IUPAC Name: (E)-[5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxymethanolate; morpholin-4-ium Traditional Name: (E)-[4-(4-carbomethoxyphenyl)-5-cyano-6-mercapto-2-methyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; morpholin-4-ium Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(C(=C(N=C1C)S)C#N)C2=CC=C(C=C2)C(=O)OC)[O-].C1COCC[NH2+]1

Isomeric SMILES

CCO/C(=C/1\C(C(=C(N=C1C)S)C#N)C2=CC=C(C=C2)C(=O)OC)/[O-].C1COCC[NH2+]1

InChI

InChI=1S/C18H18N2O4S.C4H9NO/c1-4-24-18(22)14-10(2)20-16(25)13(9-19)15(14)11-5-7-12(8-6-11)17(21)23-3;1-3-6-4-2-5-1/h5-8,15,22,25H,4H2,1-3H3;5H,1-4H2/b18-14-;