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

Systemtic Name: 2-(1-ethyl-5-phenylsulfanyl-pyrrol-2-yl)ethanoic acid Openeye Name: 2-(1-ethyl-5-phenylsulfanyl-pyrrol-2-yl)acetic acid CAS Name: 2-[1-ethyl-5-(phenylthio)-2-pyrrolyl]acetic acid IUPAC Name: 2-(1-ethyl-5-phenylsulfanylpyrrol-2-yl)acetic acid Traditional Name: 2-[1-ethyl-5-(phenylthio)pyrrol-2-yl]acetic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=C1SC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CCN1C(=CC=C1SC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C14H15NO2S/c1-2-15-11(10-14(16)17)8-9-13(15)18-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,16,17)