[3,4-diacetyloxy-6-(4-oxidanylidene-3-phenyl-2-sulfanylidene-quinazolin-1-yl)oxan-2-yl]methyl ethanoate; ethanoic acid

Systemtic Name: [3,4-diacetyloxy-6-(4-oxidanylidene-3-phenyl-2-sulfanylidene-quinazolin-1-yl)oxan-2-yl]methyl ethanoate; ethanoic acid Openeye Name: acetic acid; [3,4-diacetoxy-6-(4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid; acetic acid [3,4-diacetyloxy-6-(4-oxo-3-phenyl-2-sulfanylidene-1-quinazolinyl)-2-oxanyl]methyl ester IUPAC Name: acetic acid; [3,4-diacetyloxy-6-(4-oxo-3-phenyl-2-sulfanylidenequinazolin-1-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid; acetic acid [3,4-diacetoxy-6-(4-keto-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-2-yl]methyl ester Formula: C28H30N2O10S MolecularWeight: 586.6102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)OCC1C(C(CC(O1)N2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)O.CC(=O)OCC1C(C(CC(O1)N2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H26N2O8S.C2H4O2/c1-15(29)33-14-22-24(35-17(3)31)21(34-16(2)30)13-23(36-22)28-20-12-8-7-11-19(20)25(32)27(26(28)37)18-9-5-4-6-10-18;1-2(3)4/h4-12,21-24H,13-14H2,1-3H3;1H3,(H,3,4)