ethyl 2-[2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H20FN3O7S2 MolecularWeight: 509.527803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O7S2/c1-2-32-20(27)13-24-17-10-7-15(25(28)29)12-18(17)33-21(24)23-19(26)4-3-11-34(30,31)16-8-5-14(22)6-9-16/h5-10,12H,2-4,11,13H2,1H3