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

Systemtic Name: ethyl 2-[4-fluoranyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H19FN2O3S2 MolecularWeight: 418.504863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O3S2/c1-2-26-18(25)13-23-19-15(21)9-6-10-16(19)28-20(23)22-17(24)11-12-27-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3