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

Systemtic Name: ethyl 5-cyano-1-[[ethyl-(phenylmethyl)amino]methyl]-2-methyl-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 1-[[benzyl(ethyl)amino]methyl]-5-cyano-2-methyl-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[[ethyl-(phenylmethyl)amino]methyl]-2-methyl-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[benzyl(ethyl)amino]methyl]-5-cyano-2-methyl-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 1-[[benzyl(ethyl)amino]methyl]-5-cyano-2-methyl-6-thioxo-nicotinic acid ethyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)CN2C(=C(C=C(C2=S)C#N)C(=O)OCC)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)CN2C(=C(C=C(C2=S)C#N)C(=O)OCC)C

InChI

InChI=1S/C20H23N3O2S/c1-4-22(13-16-9-7-6-8-10-16)14-23-15(3)18(20(24)25-5-2)11-17(12-21)19(23)26/h6-11H,4-5,13-14H2,1-3H3