methyl 4-(pyridin-2-ylmethylcarbamothioylsulfanyl)butanoate

Systemtic Name: methyl 4-(pyridin-2-ylmethylcarbamothioylsulfanyl)butanoate Openeye Name: methyl 4-(2-pyridylmethylcarbamothioylsulfanyl)butanoate CAS Name: 4-[[(2-pyridinylmethylamino)-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-(pyridin-2-ylmethylcarbamothioylsulfanyl)butanoate Traditional Name: 4-(2-pyridylmethylthiocarbamoylthio)butyric acid methyl ester Formula: C12H16N2O2S2 MolecularWeight: 284.39764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC(=S)NCC1=CC=CC=N1

Isomeric SMILES

COC(=O)CCCSC(=S)NCC1=CC=CC=N1

InChI

InChI=1S/C12H16N2O2S2/c1-16-11(15)6-4-8-18-12(17)14-9-10-5-2-3-7-13-10/h2-3,5,7H,4,6,8-9H2,1H3,(H,14,17)