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

Systemtic Name: 2-(5-ethylsulfanyl-1H-pyrrol-3-yl)ethanoic acid Openeye Name: 2-(5-ethylsulfanyl-1H-pyrrol-3-yl)acetic acid CAS Name: 2-[5-(ethylthio)-1H-pyrrol-3-yl]acetic acid IUPAC Name: 2-(5-ethylsulfanyl-1H-pyrrol-3-yl)acetic acid Traditional Name: 2-[5-(ethylthio)-1H-pyrrol-3-yl]acetic acid Formula: C8H11NO2S MolecularWeight: 185.24344

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=CN1)CC(=O)O

Isomeric SMILES

CCSC1=CC(=CN1)CC(=O)O

InChI

InChI=1S/C8H11NO2S/c1-2-12-7-3-6(5-9-7)4-8(10)11/h3,5,9H,2,4H2,1H3,(H,10,11)