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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CCSC3=CC=CC=C3

InChI

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