5-(2-methylphenyl)sulfanyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-(2-methylphenyl)sulfanyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-(o-tolylsulfanyl)-1H-pyrrole-2-carboxylic acid CAS Name: 5-[(2-methylphenyl)thio]-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-(2-methylphenyl)sulfanyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-(o-tolylthio)-1H-pyrrole-2-carboxylic acid Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=CC=C(N2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SC2=CC=C(N2)C(=O)O

InChI

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