2-[5-butyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-butyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-butyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butyl-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-butyl-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H23NO2S/c1-3-4-5-14-6-11-19-17(12-14)18(13-20(23)24)21(22-19)15-7-9-16(25-2)10-8-15/h6-12,22H,3-5,13H2,1-2H3,(H,23,24)