[3,4,5-triacetyloxy-6-(2-azanyl-3,5-dicyano-4-methyl-6-sulfanylidene-pyridin-1-yl)oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-(2-azanyl-3,5-dicyano-4-methyl-6-sulfanylidene-pyridin-1-yl)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(2-amino-3,5-dicyano-4-methyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(2-amino-3,5-dicyano-4-methyl-6-sulfanylidene-1-pyridinyl)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(2-amino-3,5-dicyano-4-methyl-6-sulfanylidenepyridin-1-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(2-amino-3,5-dicyano-4-methyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl ester Formula: C22H24N4O9S MolecularWeight: 520.51236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N(C(=C1C#N)N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N

Isomeric SMILES

CC1=C(C(=S)N(C(=C1C#N)N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N

InChI

InChI=1S/C22H24N4O9S/c1-9-14(6-23)20(25)26(22(36)15(9)7-24)21-19(34-13(5)30)18(33-12(4)29)17(32-11(3)28)16(35-21)8-31-10(2)27/h16-19,21H,8,25H2,1-5H3