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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO2S/c1-21(2,3)14-7-10-18-16(11-14)17(12-19(23)24)20(22-18)13-5-8-15(25-4)9-6-13/h5-11,22H,12H2,1-4H3,(H,23,24)