(E)-but-2-enedioic acid; 1-(tert-butylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol Openeye Name: 1-(tert-butylamino)-3-thiazol-2-yloxy-propan-2-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(tert-butylamino)-3-(2-thiazolyloxy)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol Traditional Name: 1-(tert-butylamino)-3-thiazol-2-yloxy-propan-2-ol; fumaric acid Formula: C14H22N2O6S MolecularWeight: 346.39928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=NC=CS1)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=NC=CS1)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H18N2O2S.C4H4O4/c1-10(2,3)12-6-8(13)7-14-9-11-4-5-15-9;5-3(6)1-2-4(7)8/h4-5,8,12-13H,6-7H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+