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

Systemtic Name: methyl 2-[4-fluoranyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-fluoro-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[1-oxo-3-(phenylthio)propyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-fluoro-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-[3-(phenylthio)propanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H17FN2O3S2 MolecularWeight: 404.478283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)CCSC3=CC=CC=C3)F

Isomeric SMILES

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)CCSC3=CC=CC=C3)F

InChI

InChI=1S/C19H17FN2O3S2/c1-25-17(24)12-22-18-14(20)8-5-9-15(18)27-19(22)21-16(23)10-11-26-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3