4-[2-[4-[methyl(thiophen-2-ylcarbonyl)amino]phenoxy]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[4-[methyl(thiophen-2-ylcarbonyl)amino]phenoxy]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]amino]benzoic acid CAS Name: 4-[[2-[4-[methyl-[oxo(thiophen-2-yl)methyl]amino]phenoxy]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[4-[methyl(2-thenoyl)amino]phenoxy]acetyl]amino]benzoic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=CS3

Isomeric SMILES

CN(C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H18N2O5S/c1-23(20(25)18-3-2-12-29-18)16-8-10-17(11-9-16)28-13-19(24)22-15-6-4-14(5-7-15)21(26)27/h2-12H,13H2,1H3,(H,22,24)(H,26,27)