(4-methylsulfanylphenyl)methyl 1H-pyrrole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC=CN2

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC=CN2

InChI

InChI=1S/C13H13NO2S/c1-17-11-6-4-10(5-7-11)9-16-13(15)12-3-2-8-14-12/h2-8,14H,9H2,1H3