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

Systemtic Name: [3,4,5-triacetyloxy-6-[3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanethioylamino]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanethioylamino]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[3-[(4-oxo-3-phenyl-2-quinazolinyl)thio]-1-sulfanylidenepropyl]amino]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanethioylamino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[3-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propanethioylamino]tetrahydropyran-2-yl]methyl ester Formula: C31H33N3O10S2 MolecularWeight: 671.73782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC(=S)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)NC(=S)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C31H33N3O10S2/c1-17(35)40-16-24-26(41-18(2)36)27(42-19(3)37)28(43-20(4)38)29(44-24)33-25(45)14-15-46-31-32-23-13-9-8-12-22(23)30(39)34(31)21-10-6-5-7-11-21/h5-13,24,26-29H,14-16H2,1-4H3,(H,33,45)