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

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chloranyl-2-nitro-phenoxy)-N-methyl-ethanamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chloro-2-nitro-phenoxy)-N-methyl-acetamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chloro-2-nitrophenoxy)-N-methylacetamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chloro-2-nitrophenoxy)-N-methylacetamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chloro-2-nitro-phenoxy)-N-methyl-acetamide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O4S/c1-11(18-20-13-5-3-4-6-16(13)27-18)21(2)17(23)10-26-15-8-7-12(19)9-14(15)22(24)25/h3-9,11H,10H2,1-2H3/t11-/m1/s1