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

Systemtic Name: 1-(acetyloxymethyl)-2-ethylsulfanyl-3-methyl-4-oxidanylidene-cyclopent-2-ene-1-carboxylic acid; aziridin-2-one Openeye Name: 1-(acetoxymethyl)-2-ethylsulfanyl-3-methyl-4-oxo-cyclopent-2-ene-1-carboxylic acid; aziridin-2-one CAS Name: 1-(acetyloxymethyl)-2-(ethylthio)-3-methyl-4-oxo-1-cyclopent-2-enecarboxylic acid; 2-aziridinone IUPAC Name: 1-(acetyloxymethyl)-2-ethylsulfanyl-3-methyl-4-oxocyclopent-2-ene-1-carboxylic acid; aziridin-2-one Traditional Name: 1-(acetoxymethyl)-2-(ethylthio)-4-keto-3-methyl-cyclopent-2-ene-1-carboxylic acid; ethylenimin-2-one Formula: C14H19NO6S MolecularWeight: 329.36876

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=O)CC1(COC(=O)C)C(=O)O)C.C1C(=O)N1

Isomeric SMILES

CCSC1=C(C(=O)CC1(COC(=O)C)C(=O)O)C.C1C(=O)N1

InChI

InChI=1S/C12H16O5S.C2H3NO/c1-4-18-10-7(2)9(14)5-12(10,11(15)16)6-17-8(3)13;4-2-1-3-2/h4-6H2,1-3H3,(H,15,16);1H2,(H,3,4)