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

Systemtic Name: [2-ethyl-4-[[5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]pyrazol-3-yl] cyclohexanecarboxylate Openeye Name: [2-ethyl-4-(5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)pyrazol-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-ethyl-4-[(5-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-3-pyrazolyl] ester IUPAC Name: [2-ethyl-4-(5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)pyrazol-3-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-(1,1-diketo-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-pyrazol-3-yl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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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)CCC3)C)OC(=O)C4CCCCC4

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3)C)OC(=O)C4CCCCC4

InChI

InChI=1S/C23H28N2O5S/c1-3-25-22(30-23(27)16-8-5-4-6-9-16)19(14-24-25)21(26)18-11-12-20-17(15(18)2)10-7-13-31(20,28)29/h11-12,14,16H,3-10,13H2,1-2H3