ethyl 2-[4-fluoranyl-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-fluoranyl-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-benzylsulfonylbutanoylimino)-4-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[1-oxo-4-(phenylmethyl)sulfonylbutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-benzylsulfonylbutanoylimino)-4-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzylsulfonylbutanoylimino)-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23FN2O5S2 MolecularWeight: 478.556823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)F

InChI

InChI=1S/C22H23FN2O5S2/c1-2-30-20(27)14-25-21-17(23)10-6-11-18(21)31-22(25)24-19(26)12-7-13-32(28,29)15-16-8-4-3-5-9-16/h3-6,8-11H,2,7,12-15H2,1H3