(2-methylpyrazol-3-yl) 4,4-dimethyl-1,1-bis(oxidanylidene)-8-(propoxymethyl)-2,3-dihydrothiochromene-7-carboxylate

Systemtic Name: (2-methylpyrazol-3-yl) 4,4-dimethyl-1,1-bis(oxidanylidene)-8-(propoxymethyl)-2,3-dihydrothiochromene-7-carboxylate Openeye Name: (2-methylpyrazol-3-yl) 4,4-dimethyl-1,1-dioxo-8-(propoxymethyl)-2,3-dihydrothiochromene-7-carboxylate CAS Name: 4,4-dimethyl-1,1-dioxo-8-(propoxymethyl)-2,3-dihydro-1-benzothiopyran-7-carboxylic acid (2-methyl-3-pyrazolyl) ester IUPAC Name: (2-methylpyrazol-3-yl) 4,4-dimethyl-1,1-dioxo-8-(propoxymethyl)-2,3-dihydrothiochromene-7-carboxylate Traditional Name: 1,1-diketo-4,4-dimethyl-8-(propoxymethyl)-2,3-dihydrothiochromene-7-carboxylic acid (2-methylpyrazol-3-yl) ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=C(C=CC2=C1S(=O)(=O)CCC2(C)C)C(=O)OC3=CC=NN3C

Isomeric SMILES

CCCOCC1=C(C=CC2=C1S(=O)(=O)CCC2(C)C)C(=O)OC3=CC=NN3C

InChI

InChI=1S/C20H26N2O5S/c1-5-11-26-13-15-14(19(23)27-17-8-10-21-22(17)4)6-7-16-18(15)28(24,25)12-9-20(16,2)3/h6-8,10H,5,9,11-13H2,1-4H3