2-[1-(phenylmethyl)indol-3-yl]sulfanylethanoate

Systemtic Name: 2-[1-(phenylmethyl)indol-3-yl]sulfanylethanoate Openeye Name: 2-(1-benzylindol-3-yl)sulfanylacetate CAS Name: 2-[[1-(phenylmethyl)-3-indolyl]thio]acetate IUPAC Name: 2-(1-benzylindol-3-yl)sulfanylacetate Traditional Name: 2-[(1-benzylindol-3-yl)thio]acetate Formula: C17H14NO2S- MolecularWeight: 296.36356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)[O-]

InChI

InChI=1S/C17H15NO2S/c19-17(20)12-21-16-11-18(10-13-6-2-1-3-7-13)15-9-5-4-8-14(15)16/h1-9,11H,10,12H2,(H,19,20)/p-1