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

Systemtic Name: methyl 2-[2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18FN3O7S2 MolecularWeight: 495.501223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C20H18FN3O7S2/c1-31-19(26)12-23-16-9-6-14(24(27)28)11-17(16)32-20(23)22-18(25)3-2-10-33(29,30)15-7-4-13(21)5-8-15/h4-9,11H,2-3,10,12H2,1H3