N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-methoxy-2-nitro-phenoxy)-N-methyl-ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-methoxy-2-nitro-phenoxy)-N-methyl-ethanamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-methoxy-2-nitro-phenoxy)-N-methyl-acetamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylacetamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylacetamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-methoxy-2-nitro-phenoxy)-N-methyl-acetamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)COC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)COC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S/c1-12(19-20-14-6-4-5-7-17(14)28-19)21(2)18(23)11-27-16-9-8-13(26-3)10-15(16)22(24)25/h4-10,12H,11H2,1-3H3/t12-/m1/s1