2-[[3-carboxy-4-(2-thiophen-2-ylethanoylamino)phenyl]methyl]-6-(2-thiophen-2-ylethanoylamino)benzoic acid

Systemtic Name: 2-[[3-carboxy-4-(2-thiophen-2-ylethanoylamino)phenyl]methyl]-6-(2-thiophen-2-ylethanoylamino)benzoic acid Openeye Name: 2-[[3-carboxy-4-[[2-(2-thienyl)acetyl]amino]phenyl]methyl]-6-[[2-(2-thienyl)acetyl]amino]benzoic acid CAS Name: 2-[[3-carboxy-4-[(1-oxo-2-thiophen-2-ylethyl)amino]phenyl]methyl]-6-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid IUPAC Name: 2-[[3-carboxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]-6-[(2-thiophen-2-ylacetyl)amino]benzoic acid Traditional Name: 2-[3-carboxy-4-[[2-(2-thienyl)acetyl]amino]benzyl]-6-[[2-(2-thienyl)acetyl]amino]benzoic acid Formula: C27H22N2O6S2 MolecularWeight: 534.60338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)NC(=O)CC2=CC=CS2)C(=O)O)CC3=CC(=C(C=C3)NC(=O)CC4=CC=CS4)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)NC(=O)CC2=CC=CS2)C(=O)O)CC3=CC(=C(C=C3)NC(=O)CC4=CC=CS4)C(=O)O

InChI

InChI=1S/C27H22N2O6S2/c30-23(14-18-5-2-10-36-18)28-21-9-8-16(13-20(21)26(32)33)12-17-4-1-7-22(25(17)27(34)35)29-24(31)15-19-6-3-11-37-19/h1-11,13H,12,14-15H2,(H,28,30)(H,29,31)(H,32,33)(H,34,35)