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

Systemtic Name: 1-[4-[[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-2-yl]carbonyl]-2-ethyl-pyrazol-3-yl]oxypropan-2-one Openeye Name: 1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromene-2-carbonyl)-2-ethyl-pyrazol-3-yl]oxypropan-2-one CAS Name: 1-[[4-[(1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)-oxomethyl]-2-ethyl-3-pyrazolyl]oxy]-2-propanone IUPAC Name: 1-[4-(1,1-dioxo-3,4-dihydro-2H-thiochromene-2-carbonyl)-2-ethylpyrazol-3-yl]oxypropan-2-one Traditional Name: 1-[4-(1,1-diketo-3,4-dihydro-2H-thiochromene-2-carbonyl)-2-ethyl-pyrazol-3-yl]oxyacetone Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)C2CCC3=CC=CC=C3S2(=O)=O)OCC(=O)C

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)C2CCC3=CC=CC=C3S2(=O)=O)OCC(=O)C

InChI

InChI=1S/C18H20N2O5S/c1-3-20-18(25-11-12(2)21)14(10-19-20)17(22)16-9-8-13-6-4-5-7-15(13)26(16,23)24/h4-7,10,16H,3,8-9,11H2,1-2H3