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

Systemtic Name: 4-[[4-ethoxy-5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-(4-ethoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[(4-ethoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-(4-ethoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-(4-ethoxy-1,1-diketo-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-3-pyrazolin-3-one Formula: C18H22N2O5S MolecularWeight: 378.44268

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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)CCC3OCC)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3OCC)C

InChI

InChI=1S/C18H22N2O5S/c1-4-20-18(22)13(10-19-20)17(21)12-6-7-15-16(11(12)3)14(25-5-2)8-9-26(15,23)24/h6-7,10,14,19H,4-5,8-9H2,1-3H3