[(3R,4S,5R,6S)-4,5-diacetyloxy-6-(3-phenyl-4-sulfanylidene-quinazolin-2-yl)sulfanyl-oxan-3-yl] ethanoate

Systemtic Name: [(3R,4S,5R,6S)-4,5-diacetyloxy-6-(3-phenyl-4-sulfanylidene-quinazolin-2-yl)sulfanyl-oxan-3-yl] ethanoate Openeye Name: [(3R,4S,5R,6S)-4,5-diacetoxy-6-(3-phenyl-4-thioxo-quinazolin-2-yl)sulfanyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(3-phenyl-4-sulfanylidene-2-quinazolinyl)thio]-3-oxanyl] ester IUPAC Name: [(3R,4S,5R,6S)-4,5-diacetyloxy-6-(3-phenyl-4-sulfanylidenequinazolin-2-yl)sulfanyloxan-3-yl] acetate Traditional Name: acetic acid [(3R,4S,5R,6S)-4,5-diacetoxy-6-[(3-phenyl-4-thioxo-quinazolin-2-yl)thio]tetrahydropyran-3-yl] ester Formula: C25H24N2O7S2 MolecularWeight: 528.59726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)SC2=NC3=CC=CC=C3C(=S)N2C4=CC=CC=C4

Isomeric SMILES

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)SC2=NC3=CC=CC=C3C(=S)N2C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O7S2/c1-14(28)32-20-13-31-24(22(34-16(3)30)21(20)33-15(2)29)36-25-26-19-12-8-7-11-18(19)23(35)27(25)17-9-5-4-6-10-17/h4-12,20-22,24H,13H2,1-3H3/t20-,21+,22-,24+/m1/s1