[(2R,3R,4R,5R)-5-(4-chloranyl-3-oxidanylidene-[1,3]thiazolo[4,5-c]pyridazin-2-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R)-5-(4-chloranyl-3-oxidanylidene-[1,3]thiazolo[4,5-c]pyridazin-2-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(4-chloro-3-oxo-thiazolo[4,5-c]pyridazin-2-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(4-chloro-3-oxo-2-thiazolo[4,5-c]pyridazinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(4-chloro-3-oxo-[1,3]thiazolo[4,5-c]pyridazin-2-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(4-chloro-3-keto-thiazolo[4,5-c]pyridazin-2-yl)tetrahydrofuran-2-yl]methyl ester Formula: C31H22ClN3O8S MolecularWeight: 632.03968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C(=O)C(=C4C(=N3)N=CS4)Cl)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)N3C(=O)C(=C4C(=N3)N=CS4)Cl)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H22ClN3O8S/c32-22-25-26(33-17-44-25)34-35(27(22)36)28-24(43-31(39)20-14-8-3-9-15-20)23(42-30(38)19-12-6-2-7-13-19)21(41-28)16-40-29(37)18-10-4-1-5-11-18/h1-15,17,21,23-24,28H,16H2/t21-,23-,24-,28-/m1/s1