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

Systemtic Name: [2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-fluoranylbenzoate Openeye Name: [2-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C20H15FN2O3S2 MolecularWeight: 414.473103

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CC=CC=C3F)C4=CC=CS4

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CC=CC=C3F)C4=CC=CS4

InChI

InChI=1S/C20H15FN2O3S2/c21-14-6-2-1-5-13(14)20(25)26-12-19(24)23-16(18-8-4-10-28-18)11-15(22-23)17-7-3-9-27-17/h1-10,16H,11-12H2/t16-/m1/s1