ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-(4-fluorophenyl)sulfonyl-1-oxopropyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H18FN3O7S2 MolecularWeight: 495.501223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O7S2/c1-2-31-19(26)12-23-16-11-14(24(27)28)5-8-17(16)32-20(23)22-18(25)9-10-33(29,30)15-6-3-13(21)4-7-15/h3-8,11H,2,9-10,12H2,1H3