methyl 4-[(5-oxidanylidenepyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoate

Systemtic Name: methyl 4-[(5-oxidanylidenepyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoate Openeye Name: methyl 4-[(5-oxopyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoate CAS Name: 4-[[[(5-oxo-2-pyrrolidinyl)methylamino]-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[(5-oxopyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoate Traditional Name: 4-[(5-ketopyrrolidin-2-yl)methylthiocarbamoylthio]butyric acid methyl ester Formula: C11H18N2O3S2 MolecularWeight: 290.40222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC(=S)NCC1CCC(=O)N1

Isomeric SMILES

COC(=O)CCCSC(=S)NCC1CCC(=O)N1

InChI

InChI=1S/C11H18N2O3S2/c1-16-10(15)3-2-6-18-11(17)12-7-8-4-5-9(14)13-8/h8H,2-7H2,1H3,(H,12,17)(H,13,14)