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

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-methanoyl-4-nitro-phenoxy)-N-methyl-ethanamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-formyl-4-nitro-phenoxy)-N-methyl-acetamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-formyl-4-nitrophenoxy)-N-methylacetamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-formyl-4-nitrophenoxy)-N-methylacetamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-formyl-4-nitro-phenoxy)-N-methyl-acetamide Formula: C19H17N3O5S MolecularWeight: 399.42038

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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)[N+](=O)[O-])C=O

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c1-12(19-20-15-5-3-4-6-17(15)28-19)21(2)18(24)11-27-16-8-7-14(22(25)26)9-13(16)10-23/h3-10,12H,11H2,1-2H3/t12-/m1/s1