aziridin-2-one; 2-[(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: aziridin-2-one; 2-[(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-4-oxidanylidene-butanoic acid Openeye Name: aziridin-2-one; 2-[(2-methoxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-(4-methoxyphenyl)-4-oxo-butanoic acid CAS Name: 2-aziridinone; 2-[[(1-methoxy-1-oxopropan-2-yl)thio]methyl]-4-(4-methoxyphenyl)-4-oxobutanoic acid IUPAC Name: aziridin-2-one; 2-[(1-methoxy-1-oxopropan-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-4-oxobutanoic acid Traditional Name: ethylenimin-2-one; 4-keto-2-[[(2-keto-2-methoxy-1-methyl-ethyl)thio]methyl]-4-(4-methoxyphenyl)butyric acid Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O6S.C2H3NO/c1-10(16(20)22-3)23-9-12(15(18)19)8-14(17)11-4-6-13(21-2)7-5-11;4-2-1-3-2/h4-7,10,12H,8-9H2,1-3H3,(H,18,19);1H2,(H,3,4)