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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)NN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3OC)C

Isomeric SMILES

CCC1=C(C(=O)NN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3OC)C

InChI

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