(E)-but-2-enedioic acid; 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-methyl-1,3-thiazole-5-carboxamide Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-methyl-thiazole-5-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-5-thiazolecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-1,3-thiazole-5-carboxamide Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-methyl-thiazole-5-carboxamide; fumaric acid Formula: C16H25N3O7S MolecularWeight: 403.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)N)OCC(CNC(C)(C)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=C(S1)C(=O)N)OCC(CNC(C)(C)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H21N3O3S.C4H4O4/c1-7-15-11(9(19-7)10(13)17)18-6-8(16)5-14-12(2,3)4;5-3(6)1-2-4(7)8/h8,14,16H,5-6H2,1-4H3,(H2,13,17);1-2H,(H,5,6)(H,7,8)/b;2-1+