[4,5-diacetyloxy-6-[2-(4-cyanophenyl)carbonylphenyl]sulfanyl-thian-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-[2-(4-cyanophenyl)carbonylphenyl]sulfanyl-thian-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[2-(4-cyanobenzoyl)phenyl]sulfanyl-tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[[2-[(4-cyanophenyl)-oxomethyl]phenyl]thio]-3-thianyl] ester IUPAC Name: [4,5-diacetyloxy-6-[2-(4-cyanobenzoyl)phenyl]sulfanylthian-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[[2-(4-cyanobenzoyl)phenyl]thio]tetrahydrothiopyran-3-yl] ester Formula: C25H23NO7S2 MolecularWeight: 513.58262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)SC2=CC=CC=C2C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)SC2=CC=CC=C2C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H23NO7S2/c1-14(27)31-20-13-34-25(24(33-16(3)29)23(20)32-15(2)28)35-21-7-5-4-6-19(21)22(30)18-10-8-17(12-26)9-11-18/h4-11,20,23-25H,13H2,1-3H3