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

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-2-yl]carbonyl]-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-(1,1-dioxo-3,4-dihydro-2H-thiochromene-2-carbonyl)-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[(1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-(1,1-dioxo-3,4-dihydro-2H-thiochromene-2-carbonyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-(1,1-diketo-3,4-dihydro-2H-thiochromene-2-carbonyl)-2-ethyl-3-pyrazolin-3-one Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2CCC3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2CCC3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C15H16N2O4S/c1-2-17-15(19)11(9-16-17)14(18)13-8-7-10-5-3-4-6-12(10)22(13,20)21/h3-6,9,13,16H,2,7-8H2,1H3