(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC3=C(N=C4C=C(C=CC4=C3)OC)Cl

Isomeric SMILES

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC3=C(N=C4C=C(C=CC4=C3)OC)Cl

InChI

InChI=1S/C22H18ClN3O4S/c1-13-24-20(30-26-13)12-31-19-6-4-3-5-17(19)22(27)29-11-15-9-14-7-8-16(28-2)10-18(14)25-21(15)23/h3-10H,11-12H2,1-2H3