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

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] cyclohexanecarboxylate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic 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] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C20H22N2O3S2/c23-19(13-25-20(24)14-6-2-1-3-7-14)22-16(18-9-5-11-27-18)12-15(21-22)17-8-4-10-26-17/h4-5,8-11,14,16H,1-3,6-7,12-13H2