aziridin-2-one; 2-ethylsulfanyl-3-(furan-2-ylcarbonyl)-2-methyl-butanedioic acid

Systemtic Name: aziridin-2-one; 2-ethylsulfanyl-3-(furan-2-ylcarbonyl)-2-methyl-butanedioic acid Openeye Name: aziridin-2-one; 2-ethylsulfanyl-3-(furan-2-carbonyl)-2-methyl-butanedioic acid CAS Name: 2-aziridinone; 2-(ethylthio)-3-[2-furanyl(oxo)methyl]-2-methylbutanedioic acid IUPAC Name: aziridin-2-one; 2-ethylsulfanyl-3-(furan-2-carbonyl)-2-methylbutanedioic acid Traditional Name: ethylenimin-2-one; 2-(ethylthio)-3-(2-furoyl)-2-methyl-succinic acid Formula: C14H17NO7S MolecularWeight: 343.35228

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C(C(=O)C1=CC=CO1)C(=O)O)C(=O)O.C1C(=O)N1

Isomeric SMILES

CCSC(C)(C(C(=O)C1=CC=CO1)C(=O)O)C(=O)O.C1C(=O)N1

InChI

InChI=1S/C12H14O6S.C2H3NO/c1-3-19-12(2,11(16)17)8(10(14)15)9(13)7-5-4-6-18-7;4-2-1-3-2/h4-6,8H,3H2,1-2H3,(H,14,15)(H,16,17);1H2,(H,3,4)