1-[(1E)-5-azanylcycloocten-1-yl]-3-(1,2-benzothiazol-4-yloxy)propan-2-ol

Systemtic Name: 1-[(1E)-5-azanylcycloocten-1-yl]-3-(1,2-benzothiazol-4-yloxy)propan-2-ol Openeye Name: 1-[(1E)-5-aminocycloocten-1-yl]-3-(1,2-benzothiazol-4-yloxy)propan-2-ol CAS Name: 1-[(1E)-5-amino-1-cyclooctenyl]-3-(1,2-benzothiazol-4-yloxy)-2-propanol IUPAC Name: 1-[(1E)-5-aminocycloocten-1-yl]-3-(1,2-benzothiazol-4-yloxy)propan-2-ol Traditional Name: 1-[(1E)-5-aminocycloocten-1-yl]-3-(1,2-benzothiazol-4-yloxy)propan-2-ol Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC=C(C1)CC(COC2=C3C=NSC3=CC=C2)O)N

Isomeric SMILES

C1CC(CC/C=C(\C1)/CC(COC2=C3C=NSC3=CC=C2)O)N

InChI

InChI=1S/C18H24N2O2S/c19-14-6-1-4-13(5-2-7-14)10-15(21)12-22-17-8-3-9-18-16(17)11-20-23-18/h3-4,8-9,11,14-15,21H,1-2,5-7,10,12,19H2/b13-4+