ethyl 2-[(E)-2-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)ethenyl]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(E)-2-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)ethenyl]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(E)-2-(6-fluoro-4H-1,3-benzodioxin-8-yl)vinyl]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[(E)-2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethenyl]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethenyl]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(E)-2-(6-fluoro-4H-1,3-benzodioxin-8-yl)vinyl]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H18FNO4S MolecularWeight: 411.446023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C=CC2=CC(=CC3=C2OCOC3)F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)/C=C/C2=CC(=CC3=C2OCOC3)F)C4=CC=CC=C4

InChI

InChI=1S/C22H18FNO4S/c1-2-27-22(25)21-19(14-6-4-3-5-7-14)24-18(29-21)9-8-15-10-17(23)11-16-12-26-13-28-20(15)16/h3-11H,2,12-13H2,1H3/b9-8+