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

Systemtic Name: (5-phenylsulfanyl-1H-pyrrol-3-yl)methyl methanesulfonate Openeye Name: (5-phenylsulfanyl-1H-pyrrol-3-yl)methyl methanesulfonate CAS Name: methanesulfonic acid [5-(phenylthio)-1H-pyrrol-3-yl]methyl ester IUPAC Name: (5-phenylsulfanyl-1H-pyrrol-3-yl)methyl methanesulfonate Traditional Name: methanesulfonic acid [5-(phenylthio)-1H-pyrrol-3-yl]methyl ester Formula: C12H13NO3S2 MolecularWeight: 283.36652

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1=CNC(=C1)SC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OCC1=CNC(=C1)SC2=CC=CC=C2

InChI

InChI=1S/C12H13NO3S2/c1-18(14,15)16-9-10-7-12(13-8-10)17-11-5-3-2-4-6-11/h2-8,13H,9H2,1H3