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

Systemtic Name: (E)-but-2-enedioic acid; 1-(1-oxidanylpropan-2-ylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol Openeye Name: fumaric acid; 1-[(2-hydroxy-1-methyl-ethyl)amino]-3-thiazol-2-yloxy-propan-2-ol CAS Name: (E)-2-butenedioic acid; 1-(1-hydroxypropan-2-ylamino)-3-(2-thiazolyloxy)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(1-hydroxypropan-2-ylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol Traditional Name: fumaric acid; 1-[(2-hydroxy-1-methyl-ethyl)amino]-3-thiazol-2-yloxy-propan-2-ol Formula: C13H20N2O7S MolecularWeight: 348.3721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O3S.C4H4O4/c1-7(5-12)11-4-8(13)6-14-9-10-2-3-15-9;5-3(6)1-2-4(7)8/h2-3,7-8,11-13H,4-6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+