(3,4-diacetyloxy-6-quinolin-8-ylsulfanyl-oxan-2-yl)methyl ethanoate; ethanoic acid

Systemtic Name: (3,4-diacetyloxy-6-quinolin-8-ylsulfanyl-oxan-2-yl)methyl ethanoate; ethanoic acid Openeye Name: acetic acid; [3,4-diacetoxy-6-(8-quinolylsulfanyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid; acetic acid [3,4-diacetyloxy-6-(8-quinolinylthio)-2-oxanyl]methyl ester IUPAC Name: acetic acid; (3,4-diacetyloxy-6-quinolin-8-ylsulfanyloxan-2-yl)methyl acetate Traditional Name: acetic acid; acetic acid [3,4-diacetoxy-6-(8-quinolylthio)tetrahydropyran-2-yl]methyl ester Formula: C23H27NO9S MolecularWeight: 493.52678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)OCC1C(C(CC(O1)SC2=CC=CC3=C2N=CC=C3)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)O.CC(=O)OCC1C(C(CC(O1)SC2=CC=CC3=C2N=CC=C3)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H23NO7S.C2H4O2/c1-12(23)26-11-17-21(28-14(3)25)16(27-13(2)24)10-19(29-17)30-18-8-4-6-15-7-5-9-22-20(15)18;1-2(3)4/h4-9,16-17,19,21H,10-11H2,1-3H3;1H3,(H,3,4)