2-azanylidene-N-methyl-1,3-thiazolidin-3-amine; (E)-but-2-enedioic acid

Systemtic Name: 2-azanylidene-N-methyl-1,3-thiazolidin-3-amine; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 2-imino-N-methyl-thiazolidin-3-amine CAS Name: (E)-2-butenedioic acid; 2-imino-N-methyl-3-thiazolidinamine IUPAC Name: (E)-but-2-enedioic acid; 2-imino-N-methyl-1,3-thiazolidin-3-amine Traditional Name: fumaric acid; (2-iminothiazolidin-3-yl)-methyl-amine Formula: C8H13N3O4S MolecularWeight: 247.27152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNN1CCSC1=N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNN1CCSC1=N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C4H9N3S.C4H4O4/c1-6-7-2-3-8-4(7)5;5-3(6)1-2-4(7)8/h5-6H,2-3H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+