aziridin-2-one; 3-[(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: aziridin-2-one; 3-[(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: aziridin-2-one; 3-[(2-methoxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 2-aziridinone; 3-[[(1-methoxy-1-oxopropan-2-yl)thio]methyl]-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: aziridin-2-one; 3-[(1-methoxy-1-oxopropan-2-yl)sulfanylmethyl]-4-(4-methylphenyl)-4-oxobutanoic acid Traditional Name: ethylenimin-2-one; 4-keto-3-[[(2-keto-2-methoxy-1-methyl-ethyl)thio]methyl]-4-(p-tolyl)butyric acid Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CC(=O)O)CSC(C)C(=O)OC.C1C(=O)N1

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(CC(=O)O)CSC(C)C(=O)OC.C1C(=O)N1

InChI

InChI=1S/C16H20O5S.C2H3NO/c1-10-4-6-12(7-5-10)15(19)13(8-14(17)18)9-22-11(2)16(20)21-3;4-2-1-3-2/h4-7,11,13H,8-9H2,1-3H3,(H,17,18);1H2,(H,3,4)