(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3,5-dimethoxybenzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3,5-dimethoxybenzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)OC

InChI

InChI=1S/C20H18ClNO4S/c1-24-15-7-13(8-16(9-15)25-2)20(23)26-11-14-6-12-4-5-17(27-3)10-18(12)22-19(14)21/h4-10H,11H2,1-3H3