5-phenyl-2-(quinolin-8-ylsulfanylmethyl)pentanoic acid

Systemtic Name: 5-phenyl-2-(quinolin-8-ylsulfanylmethyl)pentanoic acid Openeye Name: 5-phenyl-2-(8-quinolylsulfanylmethyl)pentanoic acid CAS Name: 5-phenyl-2-[(8-quinolinylthio)methyl]pentanoic acid IUPAC Name: 5-phenyl-2-(quinolin-8-ylsulfanylmethyl)pentanoic acid Traditional Name: 5-phenyl-2-[(8-quinolylthio)methyl]valeric acid Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CSC2=CC=CC3=C2N=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CSC2=CC=CC3=C2N=CC=C3)C(=O)O

InChI

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