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

Systemtic Name: 2-[5-ethoxy-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-ethoxy-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-ethoxy-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-ethoxy-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-ethoxy-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid Formula: C19H19NO3S MolecularWeight: 341.42406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C19H19NO3S/c1-3-23-13-6-9-17-15(10-13)16(11-18(21)22)19(20-17)12-4-7-14(24-2)8-5-12/h4-10,20H,3,11H2,1-2H3,(H,21,22)