[3,4,5-triacetyloxy-6-(6-bromanyl-4-oxidanylidene-3-phenyl-2-sulfanylidene-quinazolin-1-yl)oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-(6-bromanyl-4-oxidanylidene-3-phenyl-2-sulfanylidene-quinazolin-1-yl)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(6-bromo-4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(6-bromo-4-oxo-3-phenyl-2-sulfanylidene-1-quinazolinyl)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(6-bromo-4-oxo-3-phenyl-2-sulfanylidenequinazolin-1-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(6-bromo-4-keto-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-2-yl]methyl ester Formula: C28H27BrN2O10S MolecularWeight: 663.49038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N2C3=C(C=C(C=C3)Br)C(=O)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)N2C3=C(C=C(C=C3)Br)C(=O)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H27BrN2O10S/c1-14(32)37-13-22-23(38-15(2)33)24(39-16(3)34)25(40-17(4)35)27(41-22)31-21-11-10-18(29)12-20(21)26(36)30(28(31)42)19-8-6-5-7-9-19/h5-12,22-25,27H,13H2,1-4H3