2-ethyl-4-[[8-fluoranyl-4-methoxy-2,5-dimethyl-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-2,5-dimethyl-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-2,5-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[(8-fluoro-4-methoxy-2,5-dimethyl-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-2,5-dimethyl-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-2,5-dimethyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-3-pyrazolin-3-one Formula: C18H21FN2O5S MolecularWeight: 396.433143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=CC(=C3C(=C2C)C(CC(S3(=O)=O)C)OC)F

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=CC(=C3C(=C2C)C(CC(S3(=O)=O)C)OC)F

InChI

InChI=1S/C18H21FN2O5S/c1-5-21-18(23)12(8-20-21)16(22)11-7-13(19)17-15(10(11)3)14(26-4)6-9(2)27(17,24)25/h7-9,14,20H,5-6H2,1-4H3