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

Systemtic Name: ethyl 1-[[(5-chloranylthiophen-2-yl)methyl-methyl-amino]methyl]-5-cyano-2-methyl-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 1-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-5-cyano-2-methyl-6-thioxo-pyridine-3-carboxylate CAS Name: 1-[[(5-chloro-2-thiophenyl)methyl-methylamino]methyl]-5-cyano-2-methyl-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-cyano-2-methyl-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 1-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-5-cyano-2-methyl-6-thioxo-nicotinic acid ethyl ester Formula: C17H18ClN3O2S2 MolecularWeight: 395.92672

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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(S2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN(C)CC2=CC=C(S2)Cl)C

InChI

InChI=1S/C17H18ClN3O2S2/c1-4-23-17(22)14-7-12(8-19)16(24)21(11(14)2)10-20(3)9-13-5-6-15(18)25-13/h5-7H,4,9-10H2,1-3H3