5-[[3-carboxylato-4-(2-thiophen-2-ylethanoylamino)phenyl]methyl]-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: 5-[[3-carboxylato-4-(2-thiophen-2-ylethanoylamino)phenyl]methyl]-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: 5-[[3-carboxylato-4-[[2-(2-thienyl)acetyl]amino]phenyl]methyl]-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 5-[[3-carboxylato-4-[(1-oxo-2-thiophen-2-ylethyl)amino]phenyl]methyl]-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoate IUPAC Name: 5-[[3-carboxylato-4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 5-[3-carboxylato-4-[[2-(2-thienyl)acetyl]amino]benzyl]-2-[[2-(2-thienyl)acetyl]amino]benzoate Formula: C27H20N2O6S2-2 MolecularWeight: 532.5875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)CC4=CC=CS4)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CC(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)CC4=CC=CS4)C(=O)[O-])C(=O)[O-]

InChI

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