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

Systemtic Name: [3,4,5-triacetyloxy-6-(2-azanyl-3,5-dicyano-4-phenyl-6-sulfanylidene-pyridin-1-yl)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(2-amino-3,5-dicyano-4-phenyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(2-amino-3,5-dicyano-4-phenyl-6-sulfanylidene-1-pyridinyl)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(2-amino-3,5-dicyano-4-phenyl-6-sulfanylidenepyridin-1-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(2-amino-3,5-dicyano-4-phenyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl ester Formula: C27H26N4O9S MolecularWeight: 582.58174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=C(C2=S)C#N)C3=CC=CC=C3)C#N)N)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=C(C2=S)C#N)C3=CC=CC=C3)C#N)N)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H26N4O9S/c1-13(32)36-12-20-22(37-14(2)33)23(38-15(3)34)24(39-16(4)35)26(40-20)31-25(30)18(10-28)21(19(11-29)27(31)41)17-8-6-5-7-9-17/h5-9,20,22-24,26H,12,30H2,1-4H3