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

Systemtic Name: [2-ethyl-4-[[4-methoxy-5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]pyrazol-3-yl] cyclohexanecarboxylate Openeye Name: [2-ethyl-4-(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)pyrazol-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic 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] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-(1,1-diketo-4-methoxy-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-pyrazol-3-yl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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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)OC(=O)C4CCCCC4

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3OC)C)OC(=O)C4CCCCC4

InChI

InChI=1S/C24H30N2O6S/c1-4-26-23(32-24(28)16-8-6-5-7-9-16)18(14-25-26)22(27)17-10-11-20-21(15(17)2)19(31-3)12-13-33(20,29)30/h10-11,14,16,19H,4-9,12-13H2,1-3H3