[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H17FN2O4S MolecularWeight: 412.434083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H17FN2O4S/c22-16-8-6-14(7-9-16)12-23-19(25)13-28-21(27)15-3-1-4-17(11-15)24-20(26)18-5-2-10-29-18/h1-11H,12-13H2,(H,23,25)(H,24,26)