methyl 4-[(1-methylpyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoate

Systemtic Name: methyl 4-[(1-methylpyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoate Openeye Name: methyl 4-[(1-methylpyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoate CAS Name: 4-[[[(1-methyl-2-pyrrolidinyl)methylamino]-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[(1-methylpyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoate Traditional Name: 4-[(1-methylpyrrolidin-2-yl)methylthiocarbamoylthio]butyric acid methyl ester Formula: C12H22N2O2S2 MolecularWeight: 290.44528

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CNC(=S)SCCCC(=O)OC

Isomeric SMILES

CN1CCCC1CNC(=S)SCCCC(=O)OC

InChI

InChI=1S/C12H22N2O2S2/c1-14-7-3-5-10(14)9-13-12(17)18-8-4-6-11(15)16-2/h10H,3-9H2,1-2H3,(H,13,17)