2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 2-methyl-6-[[3-(2-quinolylmethoxy)phenyl]sulfanylmethyl]benzoic acid CAS Name: 2-methyl-6-[[[3-(2-quinolinylmethoxy)phenyl]thio]methyl]benzoic acid IUPAC Name: 2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]benzoic acid Traditional Name: 2-methyl-6-[[[3-(2-quinolylmethoxy)phenyl]thio]methyl]benzoic acid Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CSC2=CC=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)CSC2=CC=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C25H21NO3S/c1-17-6-4-8-19(24(17)25(27)28)16-30-22-10-5-9-21(14-22)29-15-20-13-12-18-7-2-3-11-23(18)26-20/h2-14H,15-16H2,1H3,(H,27,28)