2-(4-pyrrol-1-ylphenyl)sulfanylethanoate

Systemtic Name: 2-(4-pyrrol-1-ylphenyl)sulfanylethanoate Openeye Name: 2-(4-pyrrol-1-ylphenyl)sulfanylacetate CAS Name: 2-[[4-(1-pyrrolyl)phenyl]thio]acetate IUPAC Name: 2-(4-pyrrol-1-ylphenyl)sulfanylacetate Traditional Name: 2-[(4-pyrrol-1-ylphenyl)thio]acetate Formula: C12H10NO2S- MolecularWeight: 232.2783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)SCC(=O)[O-]

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)SCC(=O)[O-]

InChI

InChI=1S/C12H11NO2S/c14-12(15)9-16-11-5-3-10(4-6-11)13-7-1-2-8-13/h1-8H,9H2,(H,14,15)/p-1