1-(3-methylsulfanylphenyl)pyrrole-2-carboxylic acid

Systemtic Name: 1-(3-methylsulfanylphenyl)pyrrole-2-carboxylic acid Openeye Name: 1-(3-methylsulfanylphenyl)pyrrole-2-carboxylic acid CAS Name: 1-[3-(methylthio)phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-(3-methylsulfanylphenyl)pyrrole-2-carboxylic acid Traditional Name: 1-[3-(methylthio)phenyl]pyrrole-2-carboxylic acid Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2C=CC=C2C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)N2C=CC=C2C(=O)O

InChI

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