N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(5-fluoranyl-2-nitro-phenoxy)-N-methyl-ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(5-fluoranyl-2-nitro-phenoxy)-N-methyl-ethanamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(5-fluoro-2-nitro-phenoxy)-N-methyl-acetamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(5-fluoro-2-nitro-phenoxy)-N-methyl-acetamide Formula: C18H16FN3O4S MolecularWeight: 389.400743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O4S/c1-11(18-20-13-5-3-4-6-16(13)27-18)21(2)17(23)10-26-15-9-12(19)7-8-14(15)22(24)25/h3-9,11H,10H2,1-2H3/t11-/m1/s1