methyl 4-(1H-pyrrol-2-ylmethylcarbamothioylsulfanyl)butanoate

Systemtic Name: methyl 4-(1H-pyrrol-2-ylmethylcarbamothioylsulfanyl)butanoate Openeye Name: methyl 4-(1H-pyrrol-2-ylmethylcarbamothioylsulfanyl)butanoate CAS Name: 4-[[(1H-pyrrol-2-ylmethylamino)-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-(1H-pyrrol-2-ylmethylcarbamothioylsulfanyl)butanoate Traditional Name: 4-(1H-pyrrol-2-ylmethylthiocarbamoylthio)butyric acid methyl ester Formula: C11H16N2O2S2 MolecularWeight: 272.38694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC(=S)NCC1=CC=CN1

Isomeric SMILES

COC(=O)CCCSC(=S)NCC1=CC=CN1

InChI

InChI=1S/C11H16N2O2S2/c1-15-10(14)5-3-7-17-11(16)13-8-9-4-2-6-12-9/h2,4,6,12H,3,5,7-8H2,1H3,(H,13,16)