(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-ethoxy-3-methoxy-benzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-ethoxy-3-methoxy-benzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)OC

InChI

InChI=1S/C21H20ClNO4S/c1-4-26-18-8-6-14(10-19(18)25-2)21(24)27-12-15-9-13-5-7-16(28-3)11-17(13)23-20(15)22/h5-11H,4,12H2,1-3H3