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

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C23H21FN2O6S MolecularWeight: 472.486043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)F)NC(=O)CC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)F)NC(=O)CC3=CC=CS3)OC

InChI

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