(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-(4-fluorophenyl)thiazole-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-thiazolecarboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-fluorophenyl)thiazole-4-carboxylic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H16FNO4S MolecularWeight: 409.430143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CSC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CSC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FNO4S/c1-2-13-3-8-17-15(10-20(25)28-19(17)9-13)11-27-22(26)18-12-29-21(24-18)14-4-6-16(23)7-5-14/h3-10,12H,2,11H2,1H3