[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[(2S)-2-(2-fluorophenyl)thiazolidin-3-yl]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[(2S)-2-(2-fluorophenyl)-3-thiazolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[(2S)-2-(2-fluorophenyl)thiazolidin-3-yl]-2-keto-ethyl] ester Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(N1C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C4=CC=CC=C4F

Isomeric SMILES

C1CS[C@H](N1C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C4=CC=CC=C4F

InChI

InChI=1S/C21H18FN3O3S/c22-18-5-2-1-4-17(18)20-24(12-13-29-20)19(26)14-28-21(27)15-6-8-16(9-7-15)25-11-3-10-23-25/h1-11,20H,12-14H2/t20-/m0/s1