methyl 5-(4-methylphenyl)sulfanyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-(4-methylphenyl)sulfanyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-(p-tolylsulfanyl)-1H-pyrrole-3-carboxylate CAS Name: 5-[(4-methylphenyl)thio]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylphenyl)sulfanyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(p-tolylthio)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CN2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CN2)C(=O)OC

InChI

InChI=1S/C13H13NO2S/c1-9-3-5-11(6-4-9)17-12-7-10(8-14-12)13(15)16-2/h3-8,14H,1-2H3