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

Systemtic Name: 1-(butan-2-ylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 1-(sec-butylamino)-3-thiazol-2-yloxy-propan-2-ol CAS Name: 1-(butan-2-ylamino)-3-(2-thiazolyloxy)-2-propanol; (E)-2-butenedioic acid IUPAC Name: 1-(butan-2-ylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 1-(sec-butylamino)-3-thiazol-2-yloxy-propan-2-ol Formula: C14H22N2O6S MolecularWeight: 346.39928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18N2O2S.C4H4O4/c1-3-8(2)12-6-9(13)7-14-10-11-4-5-15-10;5-3(6)1-2-4(7)8/h4-5,8-9,12-13H,3,6-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+