[5-(phenylmethylsulfanyl)-1H-pyrrol-3-yl]methyl methanesulfonate

Systemtic Name: [5-(phenylmethylsulfanyl)-1H-pyrrol-3-yl]methyl methanesulfonate Openeye Name: (5-benzylsulfanyl-1H-pyrrol-3-yl)methyl methanesulfonate CAS Name: methanesulfonic acid [5-(phenylmethylthio)-1H-pyrrol-3-yl]methyl ester IUPAC Name: (5-benzylsulfanyl-1H-pyrrol-3-yl)methyl methanesulfonate Traditional Name: methanesulfonic acid [5-(benzylthio)-1H-pyrrol-3-yl]methyl ester Formula: C13H15NO3S2 MolecularWeight: 297.3931

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1=CNC(=C1)SCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OCC1=CNC(=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C13H15NO3S2/c1-19(15,16)17-9-12-7-13(14-8-12)18-10-11-5-3-2-4-6-11/h2-8,14H,9-10H2,1H3