(E)-but-2-enedioic acid; 3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1,2-thiazole-4-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1,2-thiazole-4-carbonitrile Openeye Name: fumaric acid; 3-[2-hydroxy-3-(isopropylamino)propoxy]isothiazole-4-carbonitrile CAS Name: (E)-2-butenedioic acid; 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4-isothiazolecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1,2-thiazole-4-carbonitrile Traditional Name: fumaric acid; 3-[2-hydroxy-3-(isopropylamino)propoxy]isothiazole-4-carbonitrile Formula: C14H19N3O6S MolecularWeight: 357.38216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=NSC=C1C#N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCC(COC1=NSC=C1C#N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H15N3O2S.C4H4O4/c1-7(2)12-4-9(14)5-15-10-8(3-11)6-16-13-10;5-3(6)1-2-4(7)8/h6-7,9,12,14H,4-5H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+