[3,4,5-triacetyloxy-6-[5-cyano-3-ethanoyl-4-(4-methoxy-3-oxidanyl-phenyl)-2-phenyl-6-sulfanylidene-pyridin-1-yl]oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[5-cyano-3-ethanoyl-4-(4-methoxy-3-oxidanyl-phenyl)-2-phenyl-6-sulfanylidene-pyridin-1-yl]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[3-acetyl-5-cyano-4-(3-hydroxy-4-methoxy-phenyl)-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [6-[3-acetyl-5-cyano-4-(3-hydroxy-4-methoxyphenyl)-2-phenyl-6-sulfanylidene-1-pyridinyl]-3,4,5-triacetyloxy-2-oxanyl]methyl ester IUPAC Name: [6-[3-acetyl-5-cyano-4-(3-hydroxy-4-methoxyphenyl)-2-phenyl-6-sulfanylidenepyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[3-acetyl-5-cyano-4-(3-hydroxy-4-methoxy-phenyl)-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl ester Formula: C35H34N2O12S MolecularWeight: 706.71566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)OC)O)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)OC)O)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C35H34N2O12S/c1-17(38)28-29(23-12-13-26(44-6)25(43)14-23)24(15-36)35(50)37(30(28)22-10-8-7-9-11-22)34-33(48-21(5)42)32(47-20(4)41)31(46-19(3)40)27(49-34)16-45-18(2)39/h7-14,27,31-34,43H,16H2,1-6H3