ethyl 5-cyano-4-(4-methoxy-3-oxidanyl-phenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-(4-methoxy-3-oxidanyl-phenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-(3-hydroxy-4-methoxy-phenyl)-2-phenyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate CAS Name: 5-cyano-4-(3-hydroxy-4-methoxyphenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-(3-hydroxy-4-methoxyphenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-4-(3-hydroxy-4-methoxy-phenyl)-2-phenyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]nicotinic acid ethyl ester Formula: C36H36N2O13S MolecularWeight: 736.74164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C36H36N2O13S/c1-7-46-36(44)29-28(23-13-14-26(45-6)25(43)15-23)24(16-37)35(52)38(30(29)22-11-9-8-10-12-22)34-33(50-21(5)42)32(49-20(4)41)31(48-19(3)40)27(51-34)17-47-18(2)39/h8-15,27,31-34,43H,7,17H2,1-6H3