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

Systemtic Name: (E)-but-2-enedioic acid; 1-(propan-2-ylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol Openeye Name: fumaric acid; 1-(isopropylamino)-3-thiazol-2-yloxy-propan-2-ol CAS Name: (E)-2-butenedioic acid; 1-(propan-2-ylamino)-3-(2-thiazolyloxy)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(propan-2-ylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol Traditional Name: fumaric acid; 1-(isopropylamino)-3-thiazol-2-yloxy-propan-2-ol Formula: C13H20N2O6S MolecularWeight: 332.3727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O2S.C4H4O4/c1-7(2)11-5-8(12)6-13-9-10-3-4-14-9;5-3(6)1-2-4(7)8/h3-4,7-8,11-12H,5-6H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+