(E)-but-2-enedioic acid; 1-thieno[2,3-g]indazol-1-ylpropan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-thieno[2,3-g]indazol-1-ylpropan-2-amine Openeye Name: fumaric acid; 1-thieno[2,3-g]indazol-1-ylpropan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(1-thieno[2,3-g]indazolyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-thieno[2,3-g]indazol-1-ylpropan-2-amine Traditional Name: fumaric acid; (1-methyl-2-thien[2,3-g]indazol-1-yl-ethyl)amine Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C=CC3=C2C=CS3)C=N1)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C2=C(C=CC3=C2C=CS3)C=N1)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H13N3S.C4H4O4/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11;5-3(6)1-2-4(7)8/h2-6,8H,7,13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+