ethyl 5-cyano-1-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-2-methyl-6-sulfanylidene-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-1-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-2-methyl-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-1-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-2-methyl-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-2-methyl-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-2-methyl-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-1-[[methyl(veratryl)amino]methyl]-6-thioxo-nicotinic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN(C)CC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN(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