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

Systemtic Name: [(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl] butanoate Openeye Name: [(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] butanoate CAS Name: butanoic acid [(7S)-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] ester IUPAC Name: [(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] butanoate Traditional Name: butyric acid [(7S)-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl] ester Formula: C24H28O6S MolecularWeight: 444.54052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O6S/c1-6-7-21(26)30-18-10-8-14-12-19(27-2)23(28-3)24(29-4)22(14)15-9-11-20(31-5)17(25)13-16(15)18/h9,11-13,18H,6-8,10H2,1-5H3/t18-/m0/s1