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

Systemtic Name: 2-[5-bromanyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-bromo-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-bromo-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-bromo-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-bromo-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid Formula: C17H14BrNO2S MolecularWeight: 376.26756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)Br)CC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)Br)CC(=O)O

InChI

InChI=1S/C17H14BrNO2S/c1-22-12-5-2-10(3-6-12)17-14(9-16(20)21)13-8-11(18)4-7-15(13)19-17/h2-8,19H,9H2,1H3,(H,20,21)