2-[(2R)-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2R)-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](N(C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H19N3O4S/c24-23(25)15-8-13(19-14(9-15)11-26-12-27-19)10-22-7-3-5-17(22)20-21-16-4-1-2-6-18(16)28-20/h1-2,4,6,8-9,17H,3,5,7,10-12H2/t17-/m1/s1