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

Systemtic Name: (E)-but-2-enedioic acid; 1-(prop-2-enylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol Openeye Name: 1-(allylamino)-3-thiazol-2-yloxy-propan-2-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(prop-2-enylamino)-3-(2-thiazolyloxy)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(prop-2-enylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol Traditional Name: 1-(allylamino)-3-thiazol-2-yloxy-propan-2-ol; fumaric acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CCNCC(COC1=NC=CS1)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H14N2O2S.C4H4O4/c1-2-3-10-6-8(12)7-13-9-11-4-5-14-9;5-3(6)1-2-4(7)8/h2,4-5,8,10,12H,1,3,6-7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+