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

Systemtic Name: ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate CAS Name: 5-cyano-4-(4-methoxyphenyl)-2-methyl-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-methyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]nicotinic acid ethyl ester Formula: C31H34N2O12S MolecularWeight: 658.67286

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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)C

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)C

InChI

InChI=1S/C31H34N2O12S/c1-8-40-31(38)24-15(2)33(30(46)22(13-32)25(24)20-9-11-21(39-7)12-10-20)29-28(44-19(6)37)27(43-18(5)36)26(42-17(4)35)23(45-29)14-41-16(3)34/h9-12,23,26-29H,8,14H2,1-7H3