5-acetamido-N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitro-benzamide

Systemtic Name: 5-acetamido-N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitro-benzamide Openeye Name: 5-acetamido-N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: 5-acetamido-N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: 5-acetamido-N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-2-nitrobenzamide Traditional Name: 5-acetamido-N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C18H14F2N4O4S2 MolecularWeight: 452.454966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(F)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(F)F

InChI

InChI=1S/C18H14F2N4O4S2/c1-9(25)21-10-3-5-14(24(27)28)12(6-10)17(26)22-11-2-4-13-15(7-11)30-18(23-13)29-8-16(19)20/h2-7,16H,8H2,1H3,(H,21,25)(H,22,26)