ethyl 4-[1-(7-fluoranyl-2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethyl]benzoate

Systemtic Name: ethyl 4-[1-(7-fluoranyl-2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethyl]benzoate Openeye Name: ethyl 4-[1-(7-fluoro-2,2-dimethyl-4-oxo-thiochroman-6-yl)ethyl]benzoate CAS Name: 4-[1-(7-fluoro-2,2-dimethyl-4-oxo-3H-1-benzothiopyran-6-yl)ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(7-fluoro-2,2-dimethyl-4-oxo-3H-thiochromen-6-yl)ethyl]benzoate Traditional Name: 4-[1-(7-fluoro-4-keto-2,2-dimethyl-thiochroman-6-yl)ethyl]benzoic acid ethyl ester Formula: C22H23FO3S MolecularWeight: 386.479623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(C)C2=C(C=C3C(=C2)C(=O)CC(S3)(C)C)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(C)C2=C(C=C3C(=C2)C(=O)CC(S3)(C)C)F

InChI

InChI=1S/C22H23FO3S/c1-5-26-21(25)15-8-6-14(7-9-15)13(2)16-10-17-19(24)12-22(3,4)27-20(17)11-18(16)23/h6-11,13H,5,12H2,1-4H3