(5-butylsulfanyl-1H-pyrrol-3-yl)methyl methanesulfonate

Systemtic Name: (5-butylsulfanyl-1H-pyrrol-3-yl)methyl methanesulfonate Openeye Name: (5-butylsulfanyl-1H-pyrrol-3-yl)methyl methanesulfonate CAS Name: methanesulfonic acid [5-(butylthio)-1H-pyrrol-3-yl]methyl ester IUPAC Name: (5-butylsulfanyl-1H-pyrrol-3-yl)methyl methanesulfonate Traditional Name: methanesulfonic acid [5-(butylthio)-1H-pyrrol-3-yl]methyl ester Formula: C10H17NO3S2 MolecularWeight: 263.37688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=CN1)COS(=O)(=O)C

Isomeric SMILES

CCCCSC1=CC(=CN1)COS(=O)(=O)C

InChI

InChI=1S/C10H17NO3S2/c1-3-4-5-15-10-6-9(7-11-10)8-14-16(2,12)13/h6-7,11H,3-5,8H2,1-2H3