ethyl 2,5,6-tris(chloranyl)-4-pyrrolidin-1-ylcarbothioylsulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 2,5,6-tris(chloranyl)-4-pyrrolidin-1-ylcarbothioylsulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 2,5,6-trichloro-4-(pyrrolidine-1-carbothioylsulfanyl)pyridine-3-carboxylate CAS Name: 2,5,6-trichloro-4-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5,6-trichloro-4-(pyrrolidine-1-carbothioylsulfanyl)pyridine-3-carboxylate Traditional Name: 2,5,6-trichloro-4-(pyrrolidine-1-carbothioylthio)nicotinic acid ethyl ester Formula: C13H13Cl3N2O2S2 MolecularWeight: 399.74352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1Cl)Cl)Cl)SC(=S)N2CCCC2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1Cl)Cl)Cl)SC(=S)N2CCCC2

InChI

InChI=1S/C13H13Cl3N2O2S2/c1-2-20-12(19)7-9(8(14)11(16)17-10(7)15)22-13(21)18-5-3-4-6-18/h2-6H2,1H3