(E)-but-2-enedioic acid; 1-(tert-butylamino)-3-(2-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-(2-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-2-ol Openeye Name: 1-(tert-butylamino)-3-(2-thieno[2,3-d]isoxazol-3-ylphenoxy)propan-2-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(tert-butylamino)-3-[2-(3-thieno[2,3-d]isoxazolyl)phenoxy]-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-(2-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-2-ol Traditional Name: 1-(tert-butylamino)-3-(2-thien[2,3-d]isoxazol-3-ylphenoxy)propan-2-ol; fumaric acid Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC=C1C2=NOC3=C2SC=C3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C2=NOC3=C2SC=C3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H22N2O3S.C4H4O4/c1-18(2,3)19-10-12(21)11-22-14-7-5-4-6-13(14)16-17-15(23-20-16)8-9-24-17;5-3(6)1-2-4(7)8/h4-9,12,19,21H,10-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+