[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C24H20FN3O3S MolecularWeight: 449.497303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C24H20FN3O3S/c25-20-10-8-18(9-11-20)23(21-7-4-12-32-21)27-22(29)16-31-24(30)19-13-26-28(15-19)14-17-5-2-1-3-6-17/h1-13,15,23H,14,16H2,(H,27,29)