4-[3-(quinolin-2-ylmethoxy)phenyl]sulfanylbenzoic acid

Systemtic Name: 4-[3-(quinolin-2-ylmethoxy)phenyl]sulfanylbenzoic acid Openeye Name: 4-[3-(2-quinolylmethoxy)phenyl]sulfanylbenzoic acid CAS Name: 4-[[3-(2-quinolinylmethoxy)phenyl]thio]benzoic acid IUPAC Name: 4-[3-(quinolin-2-ylmethoxy)phenyl]sulfanylbenzoic acid Traditional Name: 4-[[3-(2-quinolylmethoxy)phenyl]thio]benzoic acid Formula: C23H17NO3S MolecularWeight: 387.45098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC(=CC=C3)SC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC(=CC=C3)SC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H17NO3S/c25-23(26)17-9-12-20(13-10-17)28-21-6-3-5-19(14-21)27-15-18-11-8-16-4-1-2-7-22(16)24-18/h1-14H,15H2,(H,25,26)