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

Systemtic Name: 2-[5-butoxy-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-butoxy-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butoxy-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butoxy-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-butoxy-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H23NO3S/c1-3-4-11-25-15-7-10-19-17(12-15)18(13-20(23)24)21(22-19)14-5-8-16(26-2)9-6-14/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,23,24)