ethyl 5-cyano-4-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-4-phenyl-6-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-4-phenyl-6-[[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]nicotinic acid ethyl ester Formula: C29H30N2O11S MolecularWeight: 614.6203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C(=C1C2=CC=CC=C2)C#N)SC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C(=C1C2=CC=CC=C2)C#N)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H30N2O11S/c1-6-37-28(36)21-13-31-27(20(12-30)23(21)19-10-8-7-9-11-19)43-29-26(41-18(5)35)25(40-17(4)34)24(39-16(3)33)22(42-29)14-38-15(2)32/h7-11,13,22,24-26,29H,6,14H2,1-5H3/t22-,24+,25+,26-,29+/m1/s1