[3,4,5-triacetyloxy-6-(5-bromanyl-3-cyano-6-methylsulfanyl-4-phenyl-pyridin-2-yl)sulfanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-(5-bromanyl-3-cyano-6-methylsulfanyl-4-phenyl-pyridin-2-yl)sulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[(5-bromo-3-cyano-6-methylsulfanyl-4-phenyl-2-pyridyl)sulfanyl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[5-bromo-3-cyano-6-(methylthio)-4-phenyl-2-pyridinyl]thio]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(5-bromo-3-cyano-6-methylsulfanyl-4-phenylpyridin-2-yl)sulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[[5-bromo-3-cyano-6-(methylthio)-4-phenyl-2-pyridyl]thio]tetrahydropyran-2-yl]methyl ester Formula: C27H27BrN2O9S2 MolecularWeight: 667.54528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC2=NC(=C(C(=C2C#N)C3=CC=CC=C3)Br)SC)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)SC2=NC(=C(C(=C2C#N)C3=CC=CC=C3)Br)SC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H27BrN2O9S2/c1-13(31)35-12-19-22(36-14(2)32)23(37-15(3)33)24(38-16(4)34)27(39-19)41-25-18(11-29)20(17-9-7-6-8-10-17)21(28)26(30-25)40-5/h6-10,19,22-24,27H,12H2,1-5H3