(E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-5-(1,2-dithiolan-3-yl)pentanamide

Systemtic Name: (E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-5-(1,2-dithiolan-3-yl)pentanamide Openeye Name: N-(2-dimethylaminoethyl)-5-(dithiolan-3-yl)pentanamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(2-dimethylaminoethyl)-5-(3-dithiolanyl)pentanamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-5-(dithiolan-3-yl)pentanamide Traditional Name: N-(2-dimethylaminoethyl)-5-(dithiolan-3-yl)valeramide; fumaric acid Formula: C16H28N2O5S2 MolecularWeight: 392.53392

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)CCCCC1CCSS1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCNC(=O)CCCCC1CCSS1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H24N2OS2.C4H4O4/c1-14(2)9-8-13-12(15)6-4-3-5-11-7-10-16-17-11;5-3(6)1-2-4(7)8/h11H,3-10H2,1-2H3,(H,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1+