(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(4-fluorophenyl)thiazole-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-thiazolecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-fluorophenyl)thiazole-4-carboxylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H16FNO4S MolecularWeight: 409.430143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CSC(=N3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CSC(=N3)C4=CC=C(C=C4)F)C

InChI

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