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

Systemtic Name: 4-[[4-methoxy-5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-2-methyl-1H-pyrazol-3-one Openeye Name: 4-(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-methyl-1H-pyrazol-3-one CAS Name: 4-[(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-methyl-1H-pyrazol-3-one Traditional Name: 4-(1,1-diketo-4-methoxy-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-methyl-3-pyrazolin-3-one Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(CCS2(=O)=O)OC)C(=O)C3=CNN(C3=O)C

Isomeric SMILES

CC1=C(C=CC2=C1C(CCS2(=O)=O)OC)C(=O)C3=CNN(C3=O)C

InChI

InChI=1S/C16H18N2O5S/c1-9-10(15(19)11-8-17-18(2)16(11)20)4-5-13-14(9)12(23-3)6-7-24(13,21)22/h4-5,8,12,17H,6-7H2,1-3H3