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

Systemtic Name: ethyl 3-[6-fluoranyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-fluoro-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-fluoro-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-fluoro-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-fluoro-2-hydrocinnamoylimino-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H21FN2O3S/c1-2-27-20(26)12-13-24-17-10-9-16(22)14-18(17)28-21(24)23-19(25)11-8-15-6-4-3-5-7-15/h3-7,9-10,14H,2,8,11-13H2,1H3