[2-ethyl-4-[[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-[[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-(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-[(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-3-pyrazolyl] ester IUPAC Name: [2-ethyl-4-(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(1,1-diketo-4-methoxy-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-pyrazol-3-yl] ester Formula: C24H26N2O7S2 MolecularWeight: 518.60244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3OC)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3OC)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H26N2O7S2/c1-5-26-24(33-35(30,31)17-8-6-15(2)7-9-17)19(14-25-26)23(27)18-10-11-21-22(16(18)3)20(32-4)12-13-34(21,28)29/h6-11,14,20H,5,12-13H2,1-4H3