1-(acetyloxymethyl)-2-ethylsulfanyl-3-methyl-4-oxidanylidene-cyclopent-2-ene-1-carboxylic acid

Systemtic Name: 1-(acetyloxymethyl)-2-ethylsulfanyl-3-methyl-4-oxidanylidene-cyclopent-2-ene-1-carboxylic acid Openeye Name: 1-(acetoxymethyl)-2-ethylsulfanyl-3-methyl-4-oxo-cyclopent-2-ene-1-carboxylic acid CAS Name: 1-(acetyloxymethyl)-2-(ethylthio)-3-methyl-4-oxo-1-cyclopent-2-enecarboxylic acid IUPAC Name: 1-(acetyloxymethyl)-2-ethylsulfanyl-3-methyl-4-oxocyclopent-2-ene-1-carboxylic acid Traditional Name: 1-(acetoxymethyl)-2-(ethylthio)-4-keto-3-methyl-cyclopent-2-ene-1-carboxylic acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=O)CC1(COC(=O)C)C(=O)O)C

Isomeric SMILES

CCSC1=C(C(=O)CC1(COC(=O)C)C(=O)O)C

InChI

InChI=1S/C12H16O5S/c1-4-18-10-7(2)9(14)5-12(10,11(15)16)6-17-8(3)13/h4-6H2,1-3H3,(H,15,16)