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

Systemtic Name: 2-ethyl-4-[[4-methoxy-5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-1H-pyrazol-3-one Traditional Name: 4-(1,1-diketo-4-methoxy-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-3-pyrazolin-3-one Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3OC)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3OC)C

InChI

InChI=1S/C17H20N2O5S/c1-4-19-17(21)12(9-18-19)16(20)11-5-6-14-15(10(11)2)13(24-3)7-8-25(14,22)23/h5-6,9,13,18H,4,7-8H2,1-3H3