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

Systemtic Name: ethyl 5-cyano-1-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-2-methyl-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-1-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-2-methyl-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[[(4-methoxyphenyl)methyl-methylamino]methyl]-2-methyl-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-[[(4-methoxyphenyl)methyl-methylamino]methyl]-2-methyl-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-1-[[methyl(p-anisyl)amino]methyl]-6-thioxo-nicotinic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-5-26-20(24)18-10-16(11-21)19(27)23(14(18)2)13-22(3)12-15-6-8-17(25-4)9-7-15/h6-10H,5,12-13H2,1-4H3