5-phenyl-2-(quinolin-2-ylsulfanylmethyl)pentanoic acid

Systemtic Name: 5-phenyl-2-(quinolin-2-ylsulfanylmethyl)pentanoic acid Openeye Name: 5-phenyl-2-(2-quinolylsulfanylmethyl)pentanoic acid CAS Name: 5-phenyl-2-[(2-quinolinylthio)methyl]pentanoic acid IUPAC Name: 5-phenyl-2-(quinolin-2-ylsulfanylmethyl)pentanoic acid Traditional Name: 5-phenyl-2-[(2-quinolylthio)methyl]valeric acid Formula: C21H21NO2S MolecularWeight: 351.46194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CSC2=NC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CSC2=NC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C21H21NO2S/c23-21(24)18(11-6-9-16-7-2-1-3-8-16)15-25-20-14-13-17-10-4-5-12-19(17)22-20/h1-5,7-8,10,12-14,18H,6,9,11,15H2,(H,23,24)