[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[6,8-bis(bromanyl)-4-oxidanylidene-3-phenyl-quinazolin-2-yl]sulfanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[6,8-bis(bromanyl)-4-oxidanylidene-3-phenyl-quinazolin-2-yl]sulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-(6,8-dibromo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(6,8-dibromo-4-oxo-3-phenyl-2-quinazolinyl)thio]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(6,8-dibromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[(6,8-dibromo-4-keto-3-phenyl-quinazolin-2-yl)thio]tetrahydropyran-2-yl]methyl ester Formula: C28H26Br2N2O10S MolecularWeight: 742.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC2=NC3=C(C=C(C=C3C(=O)N2C4=CC=CC=C4)Br)Br)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=NC3=C(C=C(C=C3C(=O)N2C4=CC=CC=C4)Br)Br)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H26Br2N2O10S/c1-13(33)38-12-21-23(39-14(2)34)24(40-15(3)35)25(41-16(4)36)27(42-21)43-28-31-22-19(10-17(29)11-20(22)30)26(37)32(28)18-8-6-5-7-9-18/h5-11,21,23-25,27H,12H2,1-4H3/t21-,23-,24+,25-,27+/m1/s1