[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3,4-dimethoxy-5-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3,4-dimethoxy-5-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3,4-dimethoxy-5-(thiophene-2-carbonylamino)benzoate CAS Name: 3,4-dimethoxy-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,4-dimethoxy-5-(thiophene-2-carbonylamino)benzoate Traditional Name: 3,4-dimethoxy-5-(2-thenoylamino)benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C23H21FN2O6S MolecularWeight: 472.486043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)NC(=O)C2=CC=CS2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)NC(=O)C2=CC=CS2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H21FN2O6S/c1-30-18-11-15(10-17(21(18)31-2)26-22(28)19-4-3-9-33-19)23(29)32-13-20(27)25-12-14-5-7-16(24)8-6-14/h3-11H,12-13H2,1-2H3,(H,25,27)(H,26,28)