(E)-but-2-enedioic acid; 5-[4-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-1-yl]carbonylpyrrolidin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 5-[4-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-1-yl]carbonylpyrrolidin-2-one Openeye Name: fumaric acid; 5-[4-(2-oxo-2-thiomorpholino-ethyl)piperazine-1-carbonyl]pyrrolidin-2-one CAS Name: (E)-2-butenedioic acid; 5-[oxo-[4-(2-oxo-2-thiomorpholin-4-ylethyl)-1-piperazinyl]methyl]-2-pyrrolidinone IUPAC Name: (E)-but-2-enedioic acid; 5-[4-(2-oxo-2-thiomorpholin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one Traditional Name: fumaric acid; 5-[4-(2-keto-2-thiomorpholino-ethyl)piperazine-1-carbonyl]-2-pyrrolidone Formula: C19H28N4O7S MolecularWeight: 456.51322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)N2CCN(CC2)CC(=O)N3CCSCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(=O)NC1C(=O)N2CCN(CC2)CC(=O)N3CCSCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H24N4O3S.C4H4O4/c20-13-2-1-12(16-13)15(22)19-5-3-17(4-6-19)11-14(21)18-7-9-23-10-8-18;5-3(6)1-2-4(7)8/h12H,1-11H2,(H,16,20);1-2H,(H,5,6)(H,7,8)/b;2-1+