2-[5-(2-methylphenyl)sulfanyl-1H-pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[5-(2-methylphenyl)sulfanyl-1H-pyrrol-3-yl]ethanoic acid Openeye Name: 2-[5-(o-tolylsulfanyl)-1H-pyrrol-3-yl]acetic acid CAS Name: 2-[5-[(2-methylphenyl)thio]-1H-pyrrol-3-yl]acetic acid IUPAC Name: 2-[5-(2-methylphenyl)sulfanyl-1H-pyrrol-3-yl]acetic acid Traditional Name: 2-[5-(o-tolylthio)-1H-pyrrol-3-yl]acetic acid Formula: C13H13NO2S MolecularWeight: 247.31282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=CC(=CN2)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1SC2=CC(=CN2)CC(=O)O

InChI

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