3-[1-(2-methylsulfanylphenyl)-5-phenyl-pyrrol-2-yl]propanoate

Systemtic Name: 3-[1-(2-methylsulfanylphenyl)-5-phenyl-pyrrol-2-yl]propanoate Openeye Name: 3-[1-(2-methylsulfanylphenyl)-5-phenyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-[2-(methylthio)phenyl]-5-phenyl-2-pyrrolyl]propanoate IUPAC Name: 3-[1-(2-methylsulfanylphenyl)-5-phenylpyrrol-2-yl]propanoate Traditional Name: 3-[1-[2-(methylthio)phenyl]-5-phenyl-pyrrol-2-yl]propionate Formula: C20H18NO2S- MolecularWeight: 336.42742

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2C(=CC=C2C3=CC=CC=C3)CCC(=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1N2C(=CC=C2C3=CC=CC=C3)CCC(=O)[O-]

InChI

InChI=1S/C20H19NO2S/c1-24-19-10-6-5-9-18(19)21-16(12-14-20(22)23)11-13-17(21)15-7-3-2-4-8-15/h2-11,13H,12,14H2,1H3,(H,22,23)/p-1