2-[3-methylsulfanyl-1-(phenylmethyl)indol-2-yl]ethanoic acid

Systemtic Name: 2-[3-methylsulfanyl-1-(phenylmethyl)indol-2-yl]ethanoic acid Openeye Name: 2-(1-benzyl-3-methylsulfanyl-indol-2-yl)acetic acid CAS Name: 2-[3-(methylthio)-1-(phenylmethyl)-2-indolyl]acetic acid IUPAC Name: 2-(1-benzyl-3-methylsulfanylindol-2-yl)acetic acid Traditional Name: 2-[1-benzyl-3-(methylthio)indol-2-yl]acetic acid Formula: C18H17NO2S MolecularWeight: 311.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CSC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C18H17NO2S/c1-22-18-14-9-5-6-10-15(14)19(16(18)11-17(20)21)12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21)