2-[5-fluoranyl-2,4-dimethyl-3-(2-propan-2-ylphenyl)sulfanyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2,4-dimethyl-3-(2-propan-2-ylphenyl)sulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[5-fluoro-3-(2-isopropylphenyl)sulfanyl-2,4-dimethyl-indol-1-yl]acetic acid CAS Name: 2-[5-fluoro-2,4-dimethyl-3-[(2-propan-2-ylphenyl)thio]-1-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2,4-dimethyl-3-(2-propan-2-ylphenyl)sulfanylindol-1-yl]acetic acid Traditional Name: 2-[5-fluoro-2,4-dimethyl-3-(o-cumenylthio)indol-1-yl]acetic acid Formula: C21H22FNO2S MolecularWeight: 371.468283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=C(N2CC(=O)O)C)SC3=CC=CC=C3C(C)C)F

Isomeric SMILES

CC1=C(C=CC2=C1C(=C(N2CC(=O)O)C)SC3=CC=CC=C3C(C)C)F

InChI

InChI=1S/C21H22FNO2S/c1-12(2)15-7-5-6-8-18(15)26-21-14(4)23(11-19(24)25)17-10-9-16(22)13(3)20(17)21/h5-10,12H,11H2,1-4H3,(H,24,25)