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

Systemtic Name: [3,4,5-triacetyloxy-6-(3,5-dicyano-2-oxidanylidene-4-phenyl-6-sulfanyl-pyridin-1-yl)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(3,5-dicyano-2-oxo-4-phenyl-6-sulfanyl-1-pyridyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(3,5-dicyano-2-mercapto-6-oxo-4-phenyl-1-pyridinyl)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(3,5-dicyano-2-oxo-4-phenyl-6-sulfanylpyridin-1-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(3,5-dicyano-2-keto-6-mercapto-4-phenyl-1-pyridyl)tetrahydropyran-2-yl]methyl ester Formula: C27H25N3O10S MolecularWeight: 583.5665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O10S/c1-13(31)36-12-20-22(37-14(2)32)23(38-15(3)33)24(39-16(4)34)26(40-20)30-25(35)18(10-28)21(19(11-29)27(30)41)17-8-6-5-7-9-17/h5-9,20,22-24,26,41H,12H2,1-4H3