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

Systemtic Name: 2-(5-phenylsulfanyl-1H-pyrrol-3-yl)ethanoic acid Openeye Name: 2-(5-phenylsulfanyl-1H-pyrrol-3-yl)acetic acid CAS Name: 2-[5-(phenylthio)-1H-pyrrol-3-yl]acetic acid IUPAC Name: 2-(5-phenylsulfanyl-1H-pyrrol-3-yl)acetic acid Traditional Name: 2-[5-(phenylthio)-1H-pyrrol-3-yl]acetic acid Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC(=CN2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC(=CN2)CC(=O)O

InChI

InChI=1S/C12H11NO2S/c14-12(15)7-9-6-11(13-8-9)16-10-4-2-1-3-5-10/h1-6,8,13H,7H2,(H,14,15)