(2,6-diacetyloxy-3-quinolin-8-ylsulfanyl-4-oxabicyclo[3.1.0]hexan-5-yl)methyl ethanoate

Systemtic Name: (2,6-diacetyloxy-3-quinolin-8-ylsulfanyl-4-oxabicyclo[3.1.0]hexan-5-yl)methyl ethanoate Openeye Name: [2,6-diacetoxy-3-(8-quinolylsulfanyl)-4-oxabicyclo[3.1.0]hexan-5-yl]methyl acetate CAS Name: acetic acid [2,6-diacetyloxy-3-(8-quinolinylthio)-4-oxabicyclo[3.1.0]hexan-5-yl]methyl ester IUPAC Name: (2,6-diacetyloxy-3-quinolin-8-ylsulfanyl-4-oxabicyclo[3.1.0]hexan-5-yl)methyl acetate Traditional Name: acetic acid [2,6-diacetoxy-3-(8-quinolylthio)-4-oxabicyclo[3.1.0]hexan-5-yl]methyl ester Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC12C(C1OC(=O)C)C(C(O2)SC3=CC=CC4=C3N=CC=C4)OC(=O)C

Isomeric SMILES

CC(=O)OCC12C(C1OC(=O)C)C(C(O2)SC3=CC=CC4=C3N=CC=C4)OC(=O)C

InChI

InChI=1S/C21H21NO7S/c1-11(23)26-10-21-16(19(21)28-13(3)25)18(27-12(2)24)20(29-21)30-15-8-4-6-14-7-5-9-22-17(14)15/h4-9,16,18-20H,10H2,1-3H3