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

Systemtic Name: phenyl 3-methoxy-4-methylsulfanyl-pyrrole-1-sulfonate Openeye Name: phenyl 3-methoxy-4-methylsulfanyl-pyrrole-1-sulfonate CAS Name: 3-methoxy-4-(methylthio)-1-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 3-methoxy-4-methylsulfanylpyrrole-1-sulfonate Traditional Name: 3-methoxy-4-(methylthio)pyrrole-1-sulfonic acid phenyl ester Formula: C12H13NO4S2 MolecularWeight: 299.36592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C=C1SC)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

COC1=CN(C=C1SC)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C12H13NO4S2/c1-16-11-8-13(9-12(11)18-2)19(14,15)17-10-6-4-3-5-7-10/h3-9H,1-2H3