aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-(4-methylpiperazin-1-yl)carbonyl-butanedioic acid

Systemtic Name: aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-(4-methylpiperazin-1-yl)carbonyl-butanedioic acid Openeye Name: aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-(4-methylpiperazine-1-carbonyl)butanedioic acid CAS Name: 2-aziridinone; 2-(ethylthio)-2-methyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]butanedioic acid IUPAC Name: aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-(4-methylpiperazine-1-carbonyl)butanedioic acid Traditional Name: ethylenimin-2-one; 2-(ethylthio)-2-methyl-3-(4-methylpiperazine-1-carbonyl)succinic acid Formula: C15H25N3O6S MolecularWeight: 375.4405

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C(C(=O)N1CCN(CC1)C)C(=O)O)C(=O)O.C1C(=O)N1

Isomeric SMILES

CCSC(C)(C(C(=O)N1CCN(CC1)C)C(=O)O)C(=O)O.C1C(=O)N1

InChI

InChI=1S/C13H22N2O5S.C2H3NO/c1-4-21-13(2,12(19)20)9(11(17)18)10(16)15-7-5-14(3)6-8-15;4-2-1-3-2/h9H,4-8H2,1-3H3,(H,17,18)(H,19,20);1H2,(H,3,4)