[(2S,3S,5R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-(5-methyl-2-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2S,3S,5R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-(5-methyl-2-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2S,3S,5R)-3-(1,3-dioxoisoindolin-2-yl)-5-(5-methyl-2-methylsulfanyl-4-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2S,3S,5R)-3-(1,3-dioxo-2-isoindolyl)-5-[5-methyl-2-(methylthio)-4-oxo-1-pyrimidinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,5R)-3-(1,3-dioxoisoindol-2-yl)-5-(5-methyl-2-methylsulfanyl-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2S,3S,5R)-5-[4-keto-5-methyl-2-(methylthio)pyrimidin-1-yl]-3-phthalimido-tetrahydrofuran-2-yl]methyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=NC1=O)SC)C2CC(C(O2)COC(=O)C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CN(C(=NC1=O)SC)[C@H]2C[C@@H]([C@H](O2)COC(=O)C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O6S/c1-11-9-23(21(31-3)22-18(11)26)17-8-15(16(30-17)10-29-12(2)25)24-19(27)13-6-4-5-7-14(13)20(24)28/h4-7,9,15-17H,8,10H2,1-3H3/t15-,16+,17+/m0/s1