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

Systemtic Name: methyl 2-[4-fluoranyl-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H21FN2O5S2 MolecularWeight: 464.530243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O5S2/c1-29-19(26)13-24-20-16(22)9-5-10-17(20)30-21(24)23-18(25)11-6-12-31(27,28)14-15-7-3-2-4-8-15/h2-5,7-10H,6,11-14H2,1H3