[2-methyl-4-[(3,3,4-trimethyl-2H-1-benzothiophen-5-yl)carbonyl]pyrazol-3-yl] 3-ethyl-1,2-dioxirane-3-sulfonate

Systemtic Name: [2-methyl-4-[(3,3,4-trimethyl-2H-1-benzothiophen-5-yl)carbonyl]pyrazol-3-yl] 3-ethyl-1,2-dioxirane-3-sulfonate Openeye Name: [2-methyl-4-(3,3,4-trimethyl-2H-benzothiophene-5-carbonyl)pyrazol-3-yl] 3-ethyldioxirane-3-sulfonate CAS Name: 3-ethyl-3-dioxiranesulfonic acid [2-methyl-4-[oxo-(3,3,4-trimethyl-2H-1-benzothiophen-5-yl)methyl]-3-pyrazolyl] ester IUPAC Name: [2-methyl-4-(3,3,4-trimethyl-2H-1-benzothiophene-5-carbonyl)pyrazol-3-yl] 3-ethyldioxirane-3-sulfonate Traditional Name: 3-ethyldioxirane-3-sulfonic acid [2-methyl-4-(3,3,4-trimethyl-2H-benzothiophene-5-carbonyl)pyrazol-3-yl] ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(OO1)S(=O)(=O)OC2=C(C=NN2C)C(=O)C3=C(C4=C(C=C3)SCC4(C)C)C

Isomeric SMILES

CCC1(OO1)S(=O)(=O)OC2=C(C=NN2C)C(=O)C3=C(C4=C(C=C3)SCC4(C)C)C

InChI

InChI=1S/C19H22N2O6S2/c1-6-19(26-27-19)29(23,24)25-17-13(9-20-21(17)5)16(22)12-7-8-14-15(11(12)2)18(3,4)10-28-14/h7-9H,6,10H2,1-5H3