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

Systemtic Name: [3,4,5-triacetyloxy-6-[3-(4-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-quinazolin-1-yl]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[3-(4-nitrophenyl)-4-oxo-2-thioxo-quinazolin-1-yl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1-quinazolinyl]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[3-(4-nitrophenyl)-4-oxo-2-sulfanylidenequinazolin-1-yl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[4-keto-3-(4-nitrophenyl)-2-thioxo-quinazolin-1-yl]tetrahydropyran-2-yl]methyl ester Formula: C28H27N3O12S MolecularWeight: 629.59188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H27N3O12S/c1-14(32)39-13-22-23(40-15(2)33)24(41-16(3)34)25(42-17(4)35)27(43-22)30-21-8-6-5-7-20(21)26(36)29(28(30)44)18-9-11-19(12-10-18)31(37)38/h5-12,22-25,27H,13H2,1-4H3