methyl 3-[6-fluoranyl-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-fluoranyl-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-fluoro-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-fluoro-2-[(E)-1-oxo-3-phenylprop-2-enyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-fluoro-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-fluoro-2-[(E)-3-phenylacryloyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN2O3S/c1-26-19(25)11-12-23-16-9-8-15(21)13-17(16)27-20(23)22-18(24)10-7-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3/b10-7+,22-20?