(2-chloranylquinolin-3-yl)methyl 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate Openeye Name: (2-chloro-3-quinolyl)methyl 2-[4-(1,3-dithian-2-yl)phenoxy]acetate CAS Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 2-[4-(1,3-dithian-2-yl)phenoxy]acetate Traditional Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid (2-chloro-3-quinolyl)methyl ester Formula: C22H20ClNO3S2 MolecularWeight: 445.9821

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)OCC(=O)OCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)OCC(=O)OCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C22H20ClNO3S2/c23-21-17(12-16-4-1-2-5-19(16)24-21)13-27-20(25)14-26-18-8-6-15(7-9-18)22-28-10-3-11-29-22/h1-2,4-9,12,22H,3,10-11,13-14H2