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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=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)28-16-23(18-7-12-21(31-4)13-8-18)22-14-9-19(15-24(22)28)17-5-10-20(27)11-6-17/h5-16H,1-4H3