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

Systemtic Name: aziridin-2-one; 4-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-(4-phenylpiperazin-1-yl)butanoic acid Openeye Name: aziridin-2-one; 3-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanoic acid CAS Name: 2-aziridinone; 3-[[(1-hydroxy-1-oxopropan-2-yl)thio]methyl]-4-oxo-4-(4-phenyl-1-piperazinyl)butanoic acid IUPAC Name: aziridin-2-one; 3-[(1-hydroxy-1-oxopropan-2-yl)sulfanylmethyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanoic acid Traditional Name: ethylenimin-2-one; 3-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]methyl]-4-keto-4-(4-phenylpiperazino)butyric acid Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(CC(=O)O)C(=O)N1CCN(CC1)C2=CC=CC=C2.C1C(=O)N1

Isomeric SMILES

CC(C(=O)O)SCC(CC(=O)O)C(=O)N1CCN(CC1)C2=CC=CC=C2.C1C(=O)N1

InChI

InChI=1S/C18H24N2O5S.C2H3NO/c1-13(18(24)25)26-12-14(11-16(21)22)17(23)20-9-7-19(8-10-20)15-5-3-2-4-6-15;4-2-1-3-2/h2-6,13-14H,7-12H2,1H3,(H,21,22)(H,24,25);1H2,(H,3,4)