O4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl] ester O1-methyl ester IUPAC Name: 4-O-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[[2-chloro-7-(methylthio)-3-quinolyl]methyl] ester O1-methyl ester Formula: C20H16ClNO4S MolecularWeight: 401.86334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO4S/c1-25-19(23)12-3-5-13(6-4-12)20(24)26-11-15-9-14-7-8-16(27-2)10-17(14)22-18(15)21/h3-10H,11H2,1-2H3