2-ethyl-4-[[8-fluoranyl-4-methoxy-5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-[[8-fluoranyl-4-methoxy-5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-(8-fluoro-4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[(8-fluoro-4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-(8-fluoro-4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-(8-fluoro-1,1-diketo-4-methoxy-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-3-pyrazolin-3-one Formula: C17H19FN2O5S MolecularWeight: 382.406563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=CC(=C3C(=C2C)C(CCS3(=O)=O)OC)F

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=CC(=C3C(=C2C)C(CCS3(=O)=O)OC)F

InChI

InChI=1S/C17H19FN2O5S/c1-4-20-17(22)11(8-19-20)15(21)10-7-12(18)16-14(9(10)2)13(25-3)5-6-26(16,23)24/h7-8,13,19H,4-6H2,1-3H3