1-[(2-methylsulfanylphenyl)methyl]pyrrole-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1CN2C=CC=C2C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1CN2C=CC=C2C(=O)O

InChI

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