2-(1-butylindol-3-yl)sulfanylethanoate

Systemtic Name: 2-(1-butylindol-3-yl)sulfanylethanoate Openeye Name: 2-(1-butylindol-3-yl)sulfanylacetate CAS Name: 2-[(1-butyl-3-indolyl)thio]acetate IUPAC Name: 2-(1-butylindol-3-yl)sulfanylacetate Traditional Name: 2-[(1-butylindol-3-yl)thio]acetate Formula: C14H16NO2S- MolecularWeight: 262.34734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=CC=CC=C21)SCC(=O)[O-]

Isomeric SMILES

CCCCN1C=C(C2=CC=CC=C21)SCC(=O)[O-]

InChI

InChI=1S/C14H17NO2S/c1-2-3-8-15-9-13(18-10-14(16)17)11-6-4-5-7-12(11)15/h4-7,9H,2-3,8,10H2,1H3,(H,16,17)/p-1