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

Systemtic Name: 5-methyl-2-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Openeye Name: 5-methyl-2-[[5-(3-thienyl)benzofuran-2-yl]methoxycarbonylamino]benzoic acid CAS Name: 5-methyl-2-[[oxo-[[5-(3-thiophenyl)-2-benzofuranyl]methoxy]methyl]amino]benzoic acid IUPAC Name: 5-methyl-2-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Traditional Name: 5-methyl-2-[[5-(3-thienyl)benzofuran-2-yl]methoxycarbonylamino]benzoic acid Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4)C(=O)O

InChI

InChI=1S/C22H17NO5S/c1-13-2-4-19(18(8-13)21(24)25)23-22(26)27-11-17-10-16-9-14(3-5-20(16)28-17)15-6-7-29-12-15/h2-10,12H,11H2,1H3,(H,23,26)(H,24,25)