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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(N1)CC(=O)O

Isomeric SMILES

CCCCSC1=CC=C(N1)CC(=O)O

InChI

InChI=1S/C10H15NO2S/c1-2-3-6-14-9-5-4-8(11-9)7-10(12)13/h4-5,11H,2-3,6-7H2,1H3,(H,12,13)