aziridin-2-one; 5-ethylsulfanyl-5-methoxycarbonyl-2-methyl-3-oxidanylidene-cyclopentene-1-carboxylic acid

Systemtic Name: aziridin-2-one; 5-ethylsulfanyl-5-methoxycarbonyl-2-methyl-3-oxidanylidene-cyclopentene-1-carboxylic acid Openeye Name: aziridin-2-one; 5-ethylsulfanyl-5-methoxycarbonyl-2-methyl-3-oxo-cyclopentene-1-carboxylic acid CAS Name: 2-aziridinone; 5-(ethylthio)-5-methoxycarbonyl-2-methyl-3-oxo-1-cyclopentenecarboxylic acid IUPAC Name: aziridin-2-one; 5-ethylsulfanyl-5-methoxycarbonyl-2-methyl-3-oxocyclopentene-1-carboxylic acid Traditional Name: 5-carbomethoxy-5-(ethylthio)-3-keto-2-methyl-cyclopentene-1-carboxylic acid; ethylenimin-2-one Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(CC(=O)C(=C1C(=O)O)C)C(=O)OC.C1C(=O)N1

Isomeric SMILES

CCSC1(CC(=O)C(=C1C(=O)O)C)C(=O)OC.C1C(=O)N1

InChI

InChI=1S/C11H14O5S.C2H3NO/c1-4-17-11(10(15)16-3)5-7(12)6(2)8(11)9(13)14;4-2-1-3-2/h4-5H2,1-3H3,(H,13,14);1H2,(H,3,4)