(1-ethanoyl-3-methyl-7-methylsulfanyl-4-oxidanylidene-2H-quinolin-3-yl) octyl sulfite

Systemtic Name: (1-ethanoyl-3-methyl-7-methylsulfanyl-4-oxidanylidene-2H-quinolin-3-yl) octyl sulfite Openeye Name: (1-acetyl-3-methyl-7-methylsulfanyl-4-oxo-2H-quinolin-3-yl) octyl sulfite CAS Name: sulfurous acid [1-acetyl-3-methyl-7-(methylthio)-4-oxo-2H-quinolin-3-yl] octyl ester IUPAC Name: (1-acetyl-3-methyl-7-methylsulfanyl-4-oxo-2H-quinolin-3-yl) octyl sulfite Traditional Name: sulfurous acid [1-acetyl-4-keto-3-methyl-7-(methylthio)-2H-quinolin-3-yl] octyl ester Formula: C21H31NO5S2 MolecularWeight: 441.60454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOS(=O)OC1(CN(C2=C(C1=O)C=CC(=C2)SC)C(=O)C)C

Isomeric SMILES

CCCCCCCCOS(=O)OC1(CN(C2=C(C1=O)C=CC(=C2)SC)C(=O)C)C

InChI

InChI=1S/C21H31NO5S2/c1-5-6-7-8-9-10-13-26-29(25)27-21(3)15-22(16(2)23)19-14-17(28-4)11-12-18(19)20(21)24/h11-12,14H,5-10,13,15H2,1-4H3