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

Systemtic Name: 2-[2-(4-methylsulfanylphenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-methylsulfanylphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid CAS Name: 2-[2-[4-(methylthio)phenyl]-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(4-methylsulfanylphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-[4-(methylthio)phenyl]-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid Formula: C18H14F3NO3S MolecularWeight: 381.36887

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CC(=O)O

InChI

InChI=1S/C18H14F3NO3S/c1-26-12-5-2-10(3-6-12)17-14(9-16(23)24)13-8-11(25-18(19,20)21)4-7-15(13)22-17/h2-8,22H,9H2,1H3,(H,23,24)