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

Systemtic Name: (E)-but-2-enedioic acid; 1-(1-phenylpropan-2-ylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol Openeye Name: fumaric acid; 1-[(1-methyl-2-phenyl-ethyl)amino]-3-thiazol-2-yloxy-propan-2-ol CAS Name: (E)-2-butenedioic acid; 1-(1-phenylpropan-2-ylamino)-3-(2-thiazolyloxy)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(1-phenylpropan-2-ylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol Traditional Name: fumaric acid; 1-[(1-methyl-2-phenyl-ethyl)amino]-3-thiazol-2-yloxy-propan-2-ol Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NCC(COC2=NC=CS2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)NCC(COC2=NC=CS2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H20N2O2S.C4H4O4/c1-12(9-13-5-3-2-4-6-13)17-10-14(18)11-19-15-16-7-8-20-15;5-3(6)1-2-4(7)8/h2-8,12,14,17-18H,9-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+