phenyl 1-ethyl-4-methylsulfanyl-pyrrole-3-sulfonate

Systemtic Name: phenyl 1-ethyl-4-methylsulfanyl-pyrrole-3-sulfonate Openeye Name: phenyl 1-ethyl-4-methylsulfanyl-pyrrole-3-sulfonate CAS Name: 1-ethyl-4-(methylthio)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 1-ethyl-4-methylsulfanylpyrrole-3-sulfonate Traditional Name: 1-ethyl-4-(methylthio)pyrrole-3-sulfonic acid phenyl ester Formula: C13H15NO3S2 MolecularWeight: 297.3931

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)SC

Isomeric SMILES

CCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)SC

InChI

InChI=1S/C13H15NO3S2/c1-3-14-9-12(18-2)13(10-14)19(15,16)17-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3