2-[carboxymethyl-[2-(carboxymethyloxy)-4-(5-phenylthiophen-2-yl)phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-(carboxymethyloxy)-4-(5-phenylthiophen-2-yl)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-2-(carboxymethyloxy)-4-(5-phenyl-2-thienyl)anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-2-(carboxymethyloxy)-4-(5-phenyl-2-thiophenyl)anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-2-(carboxymethyloxy)-4-(5-phenylthiophen-2-yl)anilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-2-(carboxymethyloxy)-4-(5-phenyl-2-thienyl)anilino]acetic acid Formula: C22H19NO7S MolecularWeight: 441.45376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(S2)C3=CC(=C(C=C3)N(CC(=O)O)CC(=O)O)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(S2)C3=CC(=C(C=C3)N(CC(=O)O)CC(=O)O)OCC(=O)O

InChI

InChI=1S/C22H19NO7S/c24-20(25)11-23(12-21(26)27)16-7-6-15(10-17(16)30-13-22(28)29)19-9-8-18(31-19)14-4-2-1-3-5-14/h1-10H,11-13H2,(H,24,25)(H,26,27)(H,28,29)