(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-thioxo-1-pyridyl)methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-1-pyridinyl)methyl-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidenepyridin-1-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: (3-carbethoxy-5-cyano-2-methyl-6-thioxo-1-pyridyl)methyl-methyl-veratryl-ammonium Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)C[NH+](C)CC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)C[NH+](C)CC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H25N3O4S/c1-6-28-21(25)17-10-16(11-22)20(29)24(14(17)2)13-23(3)12-15-7-8-18(26-4)19(9-15)27-5/h7-10H,6,12-13H2,1-5H3/p+1