3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-7-(3-oxidanylidenebutan-2-yloxy)chromen-2-one

Systemtic Name: 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-7-(3-oxidanylidenebutan-2-yloxy)chromen-2-one Openeye Name: 3-[2-(4-fluorophenyl)thiazol-4-yl]-7-(1-methyl-2-oxo-propoxy)chromen-2-one CAS Name: 3-[2-(4-fluorophenyl)-4-thiazolyl]-7-(3-oxobutan-2-yloxy)-1-benzopyran-2-one IUPAC Name: 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-7-(3-oxobutan-2-yloxy)chromen-2-one Traditional Name: 3-[2-(4-fluorophenyl)thiazol-4-yl]-7-(2-keto-1-methyl-propoxy)coumarin Formula: C22H16FNO4S MolecularWeight: 409.430143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)C)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=CC=C(C=C4)F

InChI

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