methyl 2-methylsulfanyl-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-methylsulfanyl-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-methylsulfanyl-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 2-(methylthio)-4-phenyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 2-(methylthio)-4-phenyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC=C1C2=CC=CC=C2)SC

Isomeric SMILES

COC(=O)C1=C(NC=C1C2=CC=CC=C2)SC

InChI

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