2-[3-(phenylmethyl)quinolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(phenylmethyl)quinolin-2-yl]sulfanylethanoic acid Openeye Name: 2-[(3-benzyl-2-quinolyl)sulfanyl]acetic acid CAS Name: 2-[[3-(phenylmethyl)-2-quinolinyl]thio]acetic acid IUPAC Name: 2-(3-benzylquinolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-benzyl-2-quinolyl)thio]acetic acid Formula: C18H15NO2S MolecularWeight: 309.3822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C18H15NO2S/c20-17(21)12-22-18-15(10-13-6-2-1-3-7-13)11-14-8-4-5-9-16(14)19-18/h1-9,11H,10,12H2,(H,20,21)