aziridin-2-one; 2-ethylsulfanyl-1-methoxycarbonyl-3-methyl-4-oxidanylidene-cyclopent-2-ene-1-carboxylic acid

Systemtic Name: aziridin-2-one; 2-ethylsulfanyl-1-methoxycarbonyl-3-methyl-4-oxidanylidene-cyclopent-2-ene-1-carboxylic acid Openeye Name: aziridin-2-one; 2-ethylsulfanyl-1-methoxycarbonyl-3-methyl-4-oxo-cyclopent-2-ene-1-carboxylic acid CAS Name: 2-aziridinone; 2-(ethylthio)-1-methoxycarbonyl-3-methyl-4-oxo-1-cyclopent-2-enecarboxylic acid IUPAC Name: aziridin-2-one; 2-ethylsulfanyl-1-methoxycarbonyl-3-methyl-4-oxocyclopent-2-ene-1-carboxylic acid Traditional Name: 1-carbomethoxy-2-(ethylthio)-4-keto-3-methyl-cyclopent-2-ene-1-carboxylic acid; ethylenimin-2-one Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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