(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CC3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CC3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C21H18ClNO4S/c1-28-16-4-3-14-10-15(21(22)23-17(14)11-16)12-27-20(24)9-13-2-5-18-19(8-13)26-7-6-25-18/h2-5,8,10-11H,6-7,9,12H2,1H3