4-[3-(2-thiophen-2-ylethanoylamino)phenoxy]phthalic acid

Systemtic Name: 4-[3-(2-thiophen-2-ylethanoylamino)phenoxy]phthalic acid Openeye Name: 4-[3-[[2-(2-thienyl)acetyl]amino]phenoxy]phthalic acid CAS Name: 4-[3-[(1-oxo-2-thiophen-2-ylethyl)amino]phenoxy]phthalic acid IUPAC Name: 4-[3-[(2-thiophen-2-ylacetyl)amino]phenoxy]phthalic acid Traditional Name: 4-[3-[[2-(2-thienyl)acetyl]amino]phenoxy]phthalic acid Formula: C20H15NO6S MolecularWeight: 397.4012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)NC(=O)CC3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C20H15NO6S/c22-18(11-15-5-2-8-28-15)21-12-3-1-4-13(9-12)27-14-6-7-16(19(23)24)17(10-14)20(25)26/h1-10H,11H2,(H,21,22)(H,23,24)(H,25,26)