4-[4-(2-thiophen-2-ylethanoylamino)phenoxy]phthalate

Systemtic Name: 4-[4-(2-thiophen-2-ylethanoylamino)phenoxy]phthalate Openeye Name: 4-[4-[[2-(2-thienyl)acetyl]amino]phenoxy]phthalate CAS Name: 4-[4-[(1-oxo-2-thiophen-2-ylethyl)amino]phenoxy]phthalate IUPAC Name: 4-[4-[(2-thiophen-2-ylacetyl)amino]phenoxy]phthalate Traditional Name: 4-[4-[[2-(2-thienyl)acetyl]amino]phenoxy]phthalate Formula: C20H13NO6S-2 MolecularWeight: 395.38532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC(=O)NC2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CC(=O)NC2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)[O-])C(=O)[O-]

InChI

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