3-phenyl-2-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[5-(3-thienyl)benzofuran-2-yl]methoxycarbonylamino]propanoic acid CAS Name: 2-[[oxo-[[5-(3-thiophenyl)-2-benzofuranyl]methoxy]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid Traditional Name: 3-phenyl-2-[[5-(3-thienyl)benzofuran-2-yl]methoxycarbonylamino]propionic acid Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO5S/c25-22(26)20(10-15-4-2-1-3-5-15)24-23(27)28-13-19-12-18-11-16(6-7-21(18)29-19)17-8-9-30-14-17/h1-9,11-12,14,20H,10,13H2,(H,24,27)(H,25,26)