5-(4-fluorophenyl)-2-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid

Systemtic Name: 5-(4-fluorophenyl)-2-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Openeye Name: 5-(4-fluorophenyl)-2-[[5-(3-thienyl)benzofuran-2-yl]methoxycarbonylamino]benzoic acid CAS Name: 5-(4-fluorophenyl)-2-[[oxo-[[5-(3-thiophenyl)-2-benzofuranyl]methoxy]methyl]amino]benzoic acid IUPAC Name: 5-(4-fluorophenyl)-2-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Traditional Name: 5-(4-fluorophenyl)-2-[[5-(3-thienyl)benzofuran-2-yl]methoxycarbonylamino]benzoic acid Formula: C27H18FNO5S MolecularWeight: 487.498923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C(C=C2)NC(=O)OCC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=C(C=C2)NC(=O)OCC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5)C(=O)O)F

InChI

InChI=1S/C27H18FNO5S/c28-21-5-1-16(2-6-21)18-3-7-24(23(13-18)26(30)31)29-27(32)33-14-22-12-20-11-17(4-8-25(20)34-22)19-9-10-35-15-19/h1-13,15H,14H2,(H,29,32)(H,30,31)