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

Systemtic Name: (1-methyl-5-phenylsulfanyl-pyrrol-3-yl)methyl methanesulfonate Openeye Name: (1-methyl-5-phenylsulfanyl-pyrrol-3-yl)methyl methanesulfonate CAS Name: methanesulfonic acid [1-methyl-5-(phenylthio)-3-pyrrolyl]methyl ester IUPAC Name: (1-methyl-5-phenylsulfanylpyrrol-3-yl)methyl methanesulfonate Traditional Name: methanesulfonic acid [1-methyl-5-(phenylthio)pyrrol-3-yl]methyl ester Formula: C13H15NO3S2 MolecularWeight: 297.3931

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1SC2=CC=CC=C2)COS(=O)(=O)C

Isomeric SMILES

CN1C=C(C=C1SC2=CC=CC=C2)COS(=O)(=O)C

InChI

InChI=1S/C13H15NO3S2/c1-14-9-11(10-17-19(2,15)16)8-13(14)18-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3