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

Systemtic Name: (Z)-[5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-phenylmethoxy-methanolate; morpholin-4-ium Openeye Name: (Z)-benzyloxy-[5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]methanolate; morpholin-4-ium CAS Name: (Z)-[5-cyano-6-mercapto-4-(4-methoxycarbonylphenyl)-2-methyl-4H-pyridin-3-ylidene]-phenylmethoxymethanolate; morpholin-4-ium IUPAC Name: (Z)-[5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-phenylmethoxymethanolate; morpholin-4-ium Traditional Name: (Z)-benzoxy-[4-(4-carbomethoxyphenyl)-5-cyano-6-mercapto-2-methyl-4H-pyridin-3-ylidene]methanolate; morpholin-4-ium Formula: C27H29N3O5S MolecularWeight: 507.60126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C([O-])OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)C#N)S.C1COCC[NH2+]1

Isomeric SMILES

CC\1=NC(=C(C(/C1=C(\[O-])/OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)C#N)S.C1COCC[NH2+]1

InChI

InChI=1S/C23H20N2O4S.C4H9NO/c1-14-19(23(27)29-13-15-6-4-3-5-7-15)20(18(12-24)21(30)25-14)16-8-10-17(11-9-16)22(26)28-2;1-3-6-4-2-5-1/h3-11,20,27,30H,13H2,1-2H3;5H,1-4H2/b23-19+;