[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CS3

Isomeric SMILES

CC(C)(C)CC(=O)OCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CS3

InChI

InChI=1S/C19H22N2O3S2/c1-19(2,3)11-18(23)24-12-17(22)21-14(16-7-5-9-26-16)10-13(20-21)15-6-4-8-25-15/h4-9,14H,10-12H2,1-3H3