2-(1-methyl-5-phenylsulfanyl-pyrrol-3-yl)ethanoic acid

Systemtic Name: 2-(1-methyl-5-phenylsulfanyl-pyrrol-3-yl)ethanoic acid Openeye Name: 2-(1-methyl-5-phenylsulfanyl-pyrrol-3-yl)acetic acid CAS Name: 2-[1-methyl-5-(phenylthio)-3-pyrrolyl]acetic acid IUPAC Name: 2-(1-methyl-5-phenylsulfanylpyrrol-3-yl)acetic acid Traditional Name: 2-[1-methyl-5-(phenylthio)pyrrol-3-yl]acetic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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