1-(1,2-benzothiazol-4-yloxy)-3-(tert-butylamino)propan-2-ol; (E)-but-2-enedioic acid

Systemtic Name: 1-(1,2-benzothiazol-4-yloxy)-3-(tert-butylamino)propan-2-ol; (E)-but-2-enedioic acid Openeye Name: 1-(1,2-benzothiazol-4-yloxy)-3-(tert-butylamino)propan-2-ol; fumaric acid CAS Name: 1-(1,2-benzothiazol-4-yloxy)-3-(tert-butylamino)-2-propanol; (E)-2-butenedioic acid IUPAC Name: 1-(1,2-benzothiazol-4-yloxy)-3-(tert-butylamino)propan-2-ol; (E)-but-2-enedioic acid Traditional Name: 1-(1,2-benzothiazol-4-yloxy)-3-(tert-butylamino)propan-2-ol; fumaric acid Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C2C=NSC2=CC=C1)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C2C=NSC2=CC=C1)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H20N2O2S.C4H4O4/c1-14(2,3)15-7-10(17)9-18-12-5-4-6-13-11(12)8-16-19-13;5-3(6)1-2-4(7)8/h4-6,8,10,15,17H,7,9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+