ethyl 3-[6-fluoranyl-2-(2-phenylsulfanylethanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[6-fluoranyl-2-(2-phenylsulfanylethanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-fluoro-2-(2-phenylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-fluoro-2-[1-oxo-2-(phenylthio)ethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-fluoro-2-(2-phenylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-fluoro-2-[2-(phenylthio)acetyl]imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C20H19FN2O3S2 MolecularWeight: 418.504863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CSC3=CC=CC=C3

InChI

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