2-[2-(4-methylsulfanylphenyl)-7-propan-2-yl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(4-methylsulfanylphenyl)-7-propan-2-yl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[7-isopropyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[2-[4-(methylthio)phenyl]-7-propan-2-yl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(4-methylsulfanylphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid Traditional Name: 2-[7-isopropyl-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)C1=CC=CC2=C1NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21NO2S/c1-12(2)15-5-4-6-16-17(11-18(22)23)19(21-20(15)16)13-7-9-14(24-3)10-8-13/h4-10,12,21H,11H2,1-3H3,(H,22,23)