[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic 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=CN(N=C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)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(21-3-1-14-32-21)27-22(29)16-31-24(30)19-6-4-17(5-7-19)15-28-13-2-12-26-28/h1-14,23H,15-16H2,(H,27,29)