[3-(1,3-benzodioxol-5-yl)-4,4-bis(methylsulfanyl)-5-oxidanylidene-cyclopenten-1-yl] ethanoate

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-4,4-bis(methylsulfanyl)-5-oxidanylidene-cyclopenten-1-yl] ethanoate Openeye Name: [3-(1,3-benzodioxol-5-yl)-4,4-bis(methylsulfanyl)-5-oxo-cyclopenten-1-yl] acetate CAS Name: acetic acid [3-(1,3-benzodioxol-5-yl)-4,4-bis(methylthio)-5-oxo-1-cyclopentenyl] ester IUPAC Name: [3-(1,3-benzodioxol-5-yl)-4,4-bis(methylsulfanyl)-5-oxocyclopenten-1-yl] acetate Traditional Name: acetic acid [3-(1,3-benzodioxol-5-yl)-5-keto-4,4-bis(methylthio)cyclopenten-1-yl] ester Formula: C16H16O5S2 MolecularWeight: 352.42524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(C(C1=O)(SC)SC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)OC1=CC(C(C1=O)(SC)SC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16O5S2/c1-9(17)21-14-7-11(16(22-2,23-3)15(14)18)10-4-5-12-13(6-10)20-8-19-12/h4-7,11H,8H2,1-3H3