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

Systemtic Name: (E)-but-2-enedioic acid; 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-methyl-1,3-thiazole-5-carbonitrile Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-methyl-thiazole-5-carbonitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-5-thiazolecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-1,3-thiazole-5-carbonitrile Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-methyl-thiazole-5-carbonitrile; fumaric acid Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O2S.C4H4O4/c1-8-15-11(10(5-13)18-8)17-7-9(16)6-14-12(2,3)4;5-3(6)1-2-4(7)8/h9,14,16H,6-7H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+