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

Systemtic Name: 2-[5-(phenylmethylsulfanyl)-1H-pyrrol-3-yl]ethanoic acid Openeye Name: 2-(5-benzylsulfanyl-1H-pyrrol-3-yl)acetic acid CAS Name: 2-[5-(phenylmethylthio)-1H-pyrrol-3-yl]acetic acid IUPAC Name: 2-(5-benzylsulfanyl-1H-pyrrol-3-yl)acetic acid Traditional Name: 2-[5-(benzylthio)-1H-pyrrol-3-yl]acetic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=CN2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=CN2)CC(=O)O

InChI

InChI=1S/C13H13NO2S/c15-13(16)7-11-6-12(14-8-11)17-9-10-4-2-1-3-5-10/h1-6,8,14H,7,9H2,(H,15,16)