[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-cyano-4-(4-methoxyphenyl)-6-oxidanylidene-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-pyrimidin-1-yl]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-cyano-4-(4-methoxyphenyl)-6-oxidanylidene-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-pyrimidin-1-yl]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[5-cyano-4-(4-methoxyphenyl)-6-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-cyano-4-(4-methoxyphenyl)-6-oxo-2-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]-1-pyrimidinyl]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-cyano-4-(4-methoxyphenyl)-6-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpyrimidin-1-yl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[5-cyano-6-keto-4-(4-methoxyphenyl)-2-[[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]pyrimidin-1-yl]tetrahydropyran-2-yl]methyl ester Formula: C40H45N3O20S MolecularWeight: 919.8584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(N=C2SC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)OC)C#N)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N2C(=O)C(=C(N=C2S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)OC)C#N)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C40H45N3O20S/c1-17(44)54-15-28-31(56-19(3)46)33(58-21(5)48)35(60-23(7)50)38(62-28)43-37(52)27(14-41)30(25-10-12-26(53-9)13-11-25)42-40(43)64-39-36(61-24(8)51)34(59-22(6)49)32(57-20(4)47)29(63-39)16-55-18(2)45/h10-13,28-29,31-36,38-39H,15-16H2,1-9H3/t28-,29-,31+,32+,33+,34+,35-,36-,38-,39+/m1/s1