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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)F

InChI

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