(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3,4-dimethylbenzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3,4-dimethylbenzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H18ClNO2S MolecularWeight: 371.88042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C

InChI

InChI=1S/C20H18ClNO2S/c1-12-4-5-15(8-13(12)2)20(23)24-11-16-9-14-6-7-17(25-3)10-18(14)22-19(16)21/h4-10H,11H2,1-3H3