3-[[3-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[3-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[3-(2-quinolylmethoxy)phenyl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[3-(2-quinolinylmethoxy)phenyl]thio]methyl]benzoic acid IUPAC Name: 3-[[3-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[3-(2-quinolylmethoxy)phenyl]thio]methyl]benzoic acid Formula: C24H19NO3S MolecularWeight: 401.47756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC(=CC=C3)SCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC(=CC=C3)SCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H19NO3S/c26-24(27)19-7-3-5-17(13-19)16-29-22-9-4-8-21(14-22)28-15-20-12-11-18-6-1-2-10-23(18)25-20/h1-14H,15-16H2,(H,26,27)