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

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(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=CSC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

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