tert-butyl 6-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-indole-2-carboxylate

Systemtic Name: tert-butyl 6-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-indole-2-carboxylate Openeye Name: tert-butyl 6-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-indole-2-carboxylate CAS Name: 6-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-1H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-indole-2-carboxylate Traditional Name: 6-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-1H-indole-2-carboxylic acid tert-butyl ester Formula: C26H24FNO2S MolecularWeight: 433.537663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2=C(N1)C=C(C=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2=C(N1)C=C(C=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)SC

InChI

InChI=1S/C26H24FNO2S/c1-26(2,3)30-25(29)24-23(17-7-12-20(31-4)13-8-17)21-14-9-18(15-22(21)28-24)16-5-10-19(27)11-6-16/h5-15,28H,1-4H3