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

Systemtic Name: [2-ethyl-4-[[8-fluoranyl-4-methoxy-5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-ethyl-4-(8-fluoro-4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-ethyl-4-[(8-fluoro-4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-3-pyrazolyl] ester IUPAC Name: [2-ethyl-4-(8-fluoro-4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-ethyl-4-(8-fluoro-1,1-diketo-4-methoxy-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl)pyrazol-3-yl] ester Formula: C24H25FN2O7S2 MolecularWeight: 536.592903

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)C2=CC(=C3C(=C2C)C(CCS3(=O)=O)OC)F)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)C2=CC(=C3C(=C2C)C(CCS3(=O)=O)OC)F)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H25FN2O7S2/c1-5-27-24(34-36(31,32)16-8-6-14(2)7-9-16)18(13-26-27)22(28)17-12-19(25)23-21(15(17)3)20(33-4)10-11-35(23,29)30/h6-9,12-13,20H,5,10-11H2,1-4H3