N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-(3-nitro-4-oxidanyl-phenyl)ethanamide

Systemtic Name: N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-(3-nitro-4-oxidanyl-phenyl)ethanamide Openeye Name: N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-hydroxy-3-nitro-phenyl)acetamide CAS Name: N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-2-(4-hydroxy-3-nitrophenyl)acetamide IUPAC Name: N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-hydroxy-3-nitrophenyl)acetamide Traditional Name: N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-2-(4-hydroxy-3-nitro-phenyl)acetamide Formula: C17H13F2N3O4S2 MolecularWeight: 425.429626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(F)F)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C17H13F2N3O4S2/c18-15(19)8-27-17-21-11-3-2-10(7-14(11)28-17)20-16(24)6-9-1-4-13(23)12(5-9)22(25)26/h1-5,7,15,23H,6,8H2,(H,20,24)