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

Systemtic Name: (E)-but-2-enedioic acid; 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1,3-thiazole-5-carbonitrile Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]thiazole-5-carbonitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[3-(tert-butylamino)-2-hydroxypropoxy]-5-thiazolecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-thiazole-5-carbonitrile Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]thiazole-5-carbonitrile; fumaric acid Formula: C15H21N3O6S MolecularWeight: 371.40874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O2S.C4H4O4/c1-11(2,3)14-5-8(15)6-16-10-9(4-12)17-7-13-10;5-3(6)1-2-4(7)8/h7-8,14-15H,5-6H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+