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

Systemtic Name: (E)-but-2-enedioic acid; 1-(1-phenylethylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol Openeye Name: fumaric acid; 1-(1-phenylethylamino)-3-thiazol-2-yloxy-propan-2-ol CAS Name: (E)-2-butenedioic acid; 1-(1-phenylethylamino)-3-(2-thiazolyloxy)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(1-phenylethylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol Traditional Name: fumaric acid; 1-(1-phenylethylamino)-3-thiazol-2-yloxy-propan-2-ol Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC(COC2=NC=CS2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NCC(COC2=NC=CS2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H18N2O2S.C4H4O4/c1-11(12-5-3-2-4-6-12)16-9-13(17)10-18-14-15-7-8-19-14;5-3(6)1-2-4(7)8/h2-8,11,13,16-17H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+