[(7R)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl] ethanoate

Systemtic Name: [(7R)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl] ethanoate Openeye Name: [(7R)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] acetate CAS Name: acetic acid [(7R)-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] ester IUPAC Name: [(7R)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] acetate Traditional Name: acetic acid [(7R)-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl] ester Formula: C22H24O6S MolecularWeight: 416.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC

Isomeric SMILES

CC(=O)O[C@@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC

InChI

InChI=1S/C22H24O6S/c1-12(23)28-17-8-6-13-10-18(25-2)21(26-3)22(27-4)20(13)14-7-9-19(29-5)16(24)11-15(14)17/h7,9-11,17H,6,8H2,1-5H3/t17-/m1/s1