2-[3-[(6-chloranylquinolin-2-yl)methoxy]phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[3-[(6-chloranylquinolin-2-yl)methoxy]phenyl]sulfanylbenzoic acid Openeye Name: 2-[3-[(6-chloro-2-quinolyl)methoxy]phenyl]sulfanylbenzoic acid CAS Name: 2-[[3-[(6-chloro-2-quinolinyl)methoxy]phenyl]thio]benzoic acid IUPAC Name: 2-[3-[(6-chloroquinolin-2-yl)methoxy]phenyl]sulfanylbenzoic acid Traditional Name: 2-[[3-[(6-chloro-2-quinolyl)methoxy]phenyl]thio]benzoic acid Formula: C23H16ClNO3S MolecularWeight: 421.89604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC(=C2)OCC3=NC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC(=C2)OCC3=NC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C23H16ClNO3S/c24-16-9-11-21-15(12-16)8-10-17(25-21)14-28-18-4-3-5-19(13-18)29-22-7-2-1-6-20(22)23(26)27/h1-13H,14H2,(H,26,27)