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

Systemtic Name: 2-[7-ethyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[7-ethyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[7-ethyl-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[7-ethyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[7-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=CC=CC2=C1NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCC1=CC=CC2=C1NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

InChI

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