2-(1-methyl-5-phenylsulfanyl-pyrrol-2-yl)ethanoic acid

Systemtic Name: 2-(1-methyl-5-phenylsulfanyl-pyrrol-2-yl)ethanoic acid Openeye Name: 2-(1-methyl-5-phenylsulfanyl-pyrrol-2-yl)acetic acid CAS Name: 2-[1-methyl-5-(phenylthio)-2-pyrrolyl]acetic acid IUPAC Name: 2-(1-methyl-5-phenylsulfanylpyrrol-2-yl)acetic acid Traditional Name: 2-[1-methyl-5-(phenylthio)pyrrol-2-yl]acetic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1SC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CN1C(=CC=C1SC2=CC=CC=C2)CC(=O)O

InChI

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