(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H16ClNO4S MolecularWeight: 401.86334

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3COC4=CC=CC=C4O3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)[C@H]3COC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C20H16ClNO4S/c1-27-14-7-6-12-8-13(19(21)22-15(12)9-14)10-25-20(23)18-11-24-16-4-2-3-5-17(16)26-18/h2-9,18H,10-11H2,1H3/t18-/m1/s1