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

Systemtic Name: [(3R,4S,5R,6S)-4,5-diacetyloxy-6-(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-oxan-3-yl] ethanoate Openeye Name: [(3R,4S,5R,6S)-4,5-diacetoxy-6-(6-bromo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(6-bromo-4-oxo-3-phenyl-2-quinazolinyl)thio]-3-oxanyl] ester IUPAC Name: [(3R,4S,5R,6S)-4,5-diacetyloxy-6-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyloxan-3-yl] acetate Traditional Name: acetic acid [(3R,4S,5R,6S)-4,5-diacetoxy-6-[(6-bromo-4-keto-3-phenyl-quinazolin-2-yl)thio]tetrahydropyran-3-yl] ester Formula: C25H23BrN2O8S MolecularWeight: 591.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)SC2=NC3=C(C=C(C=C3)Br)C(=O)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=C(C=C(C=C3)Br)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C25H23BrN2O8S/c1-13(29)34-20-12-33-24(22(36-15(3)31)21(20)35-14(2)30)37-25-27-19-10-9-16(26)11-18(19)23(32)28(25)17-7-5-4-6-8-17/h4-11,20-22,24H,12H2,1-3H3/t20-,21+,22-,24+/m1/s1