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

Systemtic Name: 2-(5-butylsulfanyl-1H-pyrrol-3-yl)ethanoic acid Openeye Name: 2-(5-butylsulfanyl-1H-pyrrol-3-yl)acetic acid CAS Name: 2-[5-(butylthio)-1H-pyrrol-3-yl]acetic acid IUPAC Name: 2-(5-butylsulfanyl-1H-pyrrol-3-yl)acetic acid Traditional Name: 2-[5-(butylthio)-1H-pyrrol-3-yl]acetic acid Formula: C10H15NO2S MolecularWeight: 213.2966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=CN1)CC(=O)O

Isomeric SMILES

CCCCSC1=CC(=CN1)CC(=O)O

InChI

InChI=1S/C10H15NO2S/c1-2-3-4-14-9-5-8(7-11-9)6-10(12)13/h5,7,11H,2-4,6H2,1H3,(H,12,13)