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

Systemtic Name: ethyl 1-[[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-5-cyano-2-methyl-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 1-[[(5-chloro-2-methoxy-phenyl)methyl-methyl-amino]methyl]-5-cyano-2-methyl-6-thioxo-pyridine-3-carboxylate CAS Name: 1-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-cyano-2-methyl-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-cyano-2-methyl-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 1-[[(5-chloro-2-methoxy-benzyl)-methyl-amino]methyl]-5-cyano-2-methyl-6-thioxo-nicotinic acid ethyl ester Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-5-27-20(25)17-9-14(10-22)19(28)24(13(17)2)12-23(3)11-15-8-16(21)6-7-18(15)26-4/h6-9H,5,11-12H2,1-4H3