methyl 5-phenylsulfanyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-phenylsulfanyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-phenylsulfanyl-1H-pyrrole-3-carboxylate CAS Name: 5-(phenylthio)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-phenylsulfanyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(phenylthio)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=C1)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CNC(=C1)SC2=CC=CC=C2

InChI

InChI=1S/C12H11NO2S/c1-15-12(14)9-7-11(13-8-9)16-10-5-3-2-4-6-10/h2-8,13H,1H3