ethyl 3-[6-fluoranyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[6-fluoranyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-fluoro-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-fluoro-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-fluoro-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-fluoro-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C19H17FN2O3S2 MolecularWeight: 404.478283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C19H17FN2O3S2/c1-2-25-18(24)9-10-22-15-7-5-13(20)12-16(15)27-19(22)21-17(23)8-6-14-4-3-11-26-14/h3-8,11-12H,2,9-10H2,1H3/b8-6+,21-19?