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

Systemtic Name: methyl 2-[4-fluoranyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-fluoro-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-fluoro-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-[4-(phenylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19FN2O3S2 MolecularWeight: 418.504863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)CCCSC3=CC=CC=C3)F

Isomeric SMILES

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)CCCSC3=CC=CC=C3)F

InChI

InChI=1S/C20H19FN2O3S2/c1-26-18(25)13-23-19-15(21)9-5-10-16(19)28-20(23)22-17(24)11-6-12-27-14-7-3-2-4-8-14/h2-5,7-10H,6,11-13H2,1H3