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

Systemtic Name: (E)-but-2-enedioic acid; 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-methylsulfanyl-1,3-thiazole-5-carboxamide Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-methylsulfanyl-thiazole-5-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-(methylthio)-5-thiazolecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methylsulfanyl-1,3-thiazole-5-carboxamide Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-(methylthio)thiazole-5-carboxamide; fumaric acid Formula: C16H25N3O7S2 MolecularWeight: 435.5156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(SC(=N1)SC)C(=O)N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(SC(=N1)SC)C(=O)N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H21N3O3S2.C4H4O4/c1-12(2,3)14-5-7(16)6-18-10-8(9(13)17)20-11(15-10)19-4;5-3(6)1-2-4(7)8/h7,14,16H,5-6H2,1-4H3,(H2,13,17);1-2H,(H,5,6)(H,7,8)/b;2-1+