[2-[2-(4-chloranylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[2-(4-chloranylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[2-(4-chlorophenoxy)ethyl-methyl-amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[2-(4-chlorophenoxy)ethyl-methyl-amino]-2-keto-ethyl] ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Cl)C(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Cl)C(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C18H19ClN2O4S/c1-21(10-11-24-14-7-5-13(19)6-8-14)16(22)12-25-18(23)15-4-3-9-20-17(15)26-2/h3-9H,10-12H2,1-2H3