N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluoranyl-4-nitro-benzamide

Systemtic Name: N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluoranyl-4-nitro-benzamide Openeye Name: N-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluoro-4-nitro-benzamide CAS Name: N-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1,3-benzothiazol-6-yl]-2-fluoro-4-nitrobenzamide IUPAC Name: N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluoro-4-nitrobenzamide Traditional Name: N-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]-1,3-benzothiazol-6-yl]-2-fluoro-4-nitro-benzamide Formula: C20H15FN4O4S2 MolecularWeight: 458.485903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C20H15FN4O4S2/c1-10-15(11(2)29-24-10)9-30-20-23-17-6-3-12(7-18(17)31-20)22-19(26)14-5-4-13(25(27)28)8-16(14)21/h3-8H,9H2,1-2H3,(H,22,26)