3-(8-tert-butyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-1,2-benzothiazol-5-ol; ethanedioic acid

Systemtic Name: 3-(8-tert-butyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-1,2-benzothiazol-5-ol; ethanedioic acid Openeye Name: 3-(8-tert-butyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-1,2-benzothiazol-5-ol; oxalic acid CAS Name: 3-(8-tert-butyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-1,2-benzothiazol-5-ol; oxalic acid IUPAC Name: 3-(8-tert-butyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-1,2-benzothiazol-5-ol; oxalic acid Traditional Name: 3-(8-tert-butyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-1,2-benzothiazol-5-ol; oxalic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2CCC1C=C(C2)C3=NSC4=C3C=C(C=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)N1C2CCC1C=C(C2)C3=NSC4=C3C=C(C=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N2OS.C2H2O4/c1-18(2,3)20-12-4-5-13(20)9-11(8-12)17-15-10-14(21)6-7-16(15)22-19-17;3-1(4)2(5)6/h6-8,10,12-13,21H,4-5,9H2,1-3H3;(H,3,4)(H,5,6)