(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-propan-2-yloxybenzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-propan-2-yloxybenzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H20ClNO3S MolecularWeight: 401.9064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C21H20ClNO3S/c1-13(2)26-17-7-4-14(5-8-17)21(24)25-12-16-10-15-6-9-18(27-3)11-19(15)23-20(16)22/h4-11,13H,12H2,1-3H3