methyl 4-[(1-methyl-5-oxidanylidene-pyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoate

Systemtic Name: methyl 4-[(1-methyl-5-oxidanylidene-pyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoate Openeye Name: methyl 4-[(1-methyl-5-oxo-pyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoate CAS Name: 4-[[[(1-methyl-5-oxo-2-pyrrolidinyl)methylamino]-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[(1-methyl-5-oxopyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoate Traditional Name: 4-[(5-keto-1-methyl-pyrrolidin-2-yl)methylthiocarbamoylthio]butyric acid methyl ester Formula: C12H20N2O3S2 MolecularWeight: 304.4288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCC1=O)CNC(=S)SCCCC(=O)OC

Isomeric SMILES

CN1C(CCC1=O)CNC(=S)SCCCC(=O)OC

InChI

InChI=1S/C12H20N2O3S2/c1-14-9(5-6-10(14)15)8-13-12(18)19-7-3-4-11(16)17-2/h9H,3-8H2,1-2H3,(H,13,18)