(1-ethylpyrazol-4-yl) 4-ethylsulfanyl-3,3,5-trimethyl-1,1-bis(oxidanylidene)-2,4-dihydrothiochromene-6-carboxylate

Systemtic Name: (1-ethylpyrazol-4-yl) 4-ethylsulfanyl-3,3,5-trimethyl-1,1-bis(oxidanylidene)-2,4-dihydrothiochromene-6-carboxylate Openeye Name: (1-ethylpyrazol-4-yl) 4-ethylsulfanyl-3,3,5-trimethyl-1,1-dioxo-2,4-dihydrothiochromene-6-carboxylate CAS Name: 4-(ethylthio)-3,3,5-trimethyl-1,1-dioxo-2,4-dihydro-1-benzothiopyran-6-carboxylic acid (1-ethyl-4-pyrazolyl) ester IUPAC Name: (1-ethylpyrazol-4-yl) 4-ethylsulfanyl-3,3,5-trimethyl-1,1-dioxo-2,4-dihydrothiochromene-6-carboxylate Traditional Name: 4-(ethylthio)-1,1-diketo-3,3,5-trimethyl-2,4-dihydrothiochromene-6-carboxylic acid (1-ethylpyrazol-4-yl) ester Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)OC(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC(C3SCC)(C)C)C

Isomeric SMILES

CCN1C=C(C=N1)OC(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC(C3SCC)(C)C)C

InChI

InChI=1S/C20H26N2O4S2/c1-6-22-11-14(10-21-22)26-19(23)15-8-9-16-17(13(15)3)18(27-7-2)20(4,5)12-28(16,24)25/h8-11,18H,6-7,12H2,1-5H3