2-[7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[7-methyl-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[7-methyl-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid Formula: C18H17NO2S MolecularWeight: 311.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC2=C1NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H17NO2S/c1-11-4-3-5-14-15(10-16(20)21)18(19-17(11)14)12-6-8-13(22-2)9-7-12/h3-9,19H,10H2,1-2H3,(H,20,21)