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

Systemtic Name: methyl 3-[6-fluoranyl-2-(2-phenylsulfanylethanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H17FN2O3S2 MolecularWeight: 404.478283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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