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

Systemtic Name: ethyl 2-[2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-(4-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-(4-fluorophenyl)sulfonylprolyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H21FN4O7S2 MolecularWeight: 536.553143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O7S2/c1-2-34-20(28)13-25-18-12-15(27(30)31)7-10-19(18)35-22(25)24-21(29)17-4-3-11-26(17)36(32,33)16-8-5-14(23)6-9-16/h5-10,12,17H,2-4,11,13H2,1H3