aziridin-2-one; 2-ethylsulfanyl-3-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: aziridin-2-one; 2-ethylsulfanyl-3-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-butanoic acid Openeye Name: aziridin-2-one; 2-ethylsulfanyl-4-methoxy-3-(4-methoxybenzoyl)-2-methyl-4-oxo-butanoic acid CAS Name: 2-aziridinone; 2-(ethylthio)-3-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-4-oxobutanoic acid IUPAC Name: aziridin-2-one; 2-ethylsulfanyl-4-methoxy-3-(4-methoxybenzoyl)-2-methyl-4-oxobutanoic acid Traditional Name: 3-carbomethoxy-2-(ethylthio)-4-keto-4-(4-methoxyphenyl)-2-methyl-butyric acid; ethylenimin-2-one Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O6S.C2H3NO/c1-5-23-16(2,15(19)20)12(14(18)22-4)13(17)10-6-8-11(21-3)9-7-10;4-2-1-3-2/h6-9,12H,5H2,1-4H3,(H,19,20);1H2,(H,3,4)