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

Systemtic Name: ethyl 5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate CAS Name: 5-cyano-4-(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-(4-methoxyphenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]nicotinic acid ethyl ester Formula: C36H36N2O12S MolecularWeight: 720.74224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)OC)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)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/C36H36N2O12S/c1-7-45-36(43)29-28(23-13-15-25(44-6)16-14-23)26(17-37)35(51)38(30(29)24-11-9-8-10-12-24)34-33(49-22(5)42)32(48-21(4)41)31(47-20(3)40)27(50-34)18-46-19(2)39/h8-16,27,31-34H,7,18H2,1-6H3