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

Systemtic Name: 2-ethyl-4-[[5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-(5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[(5-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-(5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-1H-pyrazol-3-one Traditional Name: 4-(1,1-diketo-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-3-pyrazolin-3-one Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3)C

InChI

InChI=1S/C16H18N2O4S/c1-3-18-16(20)13(9-17-18)15(19)12-6-7-14-11(10(12)2)5-4-8-23(14,21)22/h6-7,9,17H,3-5,8H2,1-2H3