[(2R,3R,4R,5R)-5-(5-azanyl-2-oxidanylidene-7-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R)-5-(5-azanyl-2-oxidanylidene-7-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R)-5-(5-amino-2-oxo-7-thioxo-4H-thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-5-(5-amino-2-oxo-7-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-(5-amino-2-oxo-7-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-5-(5-amino-2-keto-7-thioxo-4H-thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C31H24N4O8S2 MolecularWeight: 644.67426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C4=C(C(=S)N=C(N4)N)SC3=O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=S)N=C(N4)N)SC3=O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H24N4O8S2/c32-30-33-24-23(25(44)34-30)45-31(39)35(24)26-22(43-29(38)19-14-8-3-9-15-19)21(42-28(37)18-12-6-2-7-13-18)20(41-26)16-40-27(36)17-10-4-1-5-11-17/h1-15,20-22,26H,16H2,(H3,32,33,34,44)/t20-,21-,22-,26-/m1/s1