4-[[4-methoxy-5,8-dimethyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-2,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 4-[[4-methoxy-5,8-dimethyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: 4-(4-methoxy-5,8-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one CAS Name: 4-[(4-methoxy-5,8-dimethyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 4-(4-methoxy-5,8-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: 4-(1,1-diketo-4-methoxy-5,8-dimethyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2,5-dimethyl-3-pyrazolin-3-one Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)C3=C(NN(C3=O)C)C)C)C(CCS2(=O)=O)OC

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)C3=C(NN(C3=O)C)C)C)C(CCS2(=O)=O)OC

InChI

InChI=1S/C18H22N2O5S/c1-9-8-12(16(21)15-11(3)19-20(4)18(15)22)10(2)14-13(25-5)6-7-26(23,24)17(9)14/h8,13,19H,6-7H2,1-5H3