[(1R,3R,4R,5R)-4-acetyloxy-6-azanyl-3-[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8,8-bis(oxidanylidene)-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-1-yl]methyl benzoate

Systemtic Name: [(1R,3R,4R,5R)-4-acetyloxy-6-azanyl-3-[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8,8-bis(oxidanylidene)-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-1-yl]methyl benzoate Openeye Name: [(1R,3R,4R,5R)-4-acetoxy-6-amino-3-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-1-yl]methyl benzoate CAS Name: benzoic acid [(1R,3R,4R,5R)-4-acetyloxy-6-amino-3-(5-bromo-2,4-dioxo-1-pyrimidinyl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-1-yl]methyl ester IUPAC Name: [(1R,3R,4R,5R)-4-acetyloxy-6-amino-3-(5-bromo-2,4-dioxopyrimidin-1-yl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-1-yl]methyl benzoate Traditional Name: benzoic acid [(1R,3R,4R,5R)-4-acetoxy-6-amino-3-(5-bromo-2,4-diketo-pyrimidin-1-yl)-8,8-diketo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-1-yl]methyl ester Formula: C20H18BrN3O10S MolecularWeight: 572.34002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C12C(=CS(=O)(=O)O2)N)COC(=O)C3=CC=CC=C3)N4C=C(C(=O)NC4=O)Br

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](O[C@@H]([C@]12C(=CS(=O)(=O)O2)N)COC(=O)C3=CC=CC=C3)N4C=C(C(=O)NC4=O)Br

InChI

InChI=1S/C20H18BrN3O10S/c1-10(25)32-15-17(24-7-12(21)16(26)23-19(24)28)33-14(20(15)13(22)9-35(29,30)34-20)8-31-18(27)11-5-3-2-4-6-11/h2-7,9,14-15,17H,8,22H2,1H3,(H,23,26,28)/t14-,15+,17-,20-/m1/s1