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

Systemtic Name: 2-[5-ethyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-ethyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-ethyl-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-ethyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-ethyl-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid Formula: C19H19NO2S MolecularWeight: 325.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C19H19NO2S/c1-3-12-4-9-17-15(10-12)16(11-18(21)22)19(20-17)13-5-7-14(23-2)8-6-13/h4-10,20H,3,11H2,1-2H3,(H,21,22)