[4,5-diacetyloxy-6-[4-(4-cyanophenyl)carbonylphenyl]sulfanyl-oxan-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-[4-(4-cyanophenyl)carbonylphenyl]sulfanyl-oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[4-(4-cyanobenzoyl)phenyl]sulfanyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[[4-[(4-cyanophenyl)-oxomethyl]phenyl]thio]-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-[4-(4-cyanobenzoyl)phenyl]sulfanyloxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[[4-(4-cyanobenzoyl)phenyl]thio]tetrahydropyran-3-yl] ester Formula: C25H23NO8S MolecularWeight: 497.51702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)SC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)SC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H23NO8S/c1-14(27)32-21-13-31-25(24(34-16(3)29)23(21)33-15(2)28)35-20-10-8-19(9-11-20)22(30)18-6-4-17(12-26)5-7-18/h4-11,21,23-25H,13H2,1-3H3