3-[[2-oxidanylidene-2-(oxolan-2-ylmethylamino)-1-thiophen-2-yl-ethyl]amino]benzoic acid

Systemtic Name: 3-[[2-oxidanylidene-2-(oxolan-2-ylmethylamino)-1-thiophen-2-yl-ethyl]amino]benzoic acid Openeye Name: 3-[[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)-1-(2-thienyl)ethyl]amino]benzoic acid CAS Name: 3-[[2-oxo-2-(2-oxolanylmethylamino)-1-thiophen-2-ylethyl]amino]benzoic acid IUPAC Name: 3-[[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]amino]benzoic acid Traditional Name: 3-[[2-keto-2-(tetrahydrofurfurylamino)-1-(2-thienyl)ethyl]amino]benzoic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(C2=CC=CS2)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC(=O)C(C2=CC=CS2)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H20N2O4S/c21-17(19-11-14-6-2-8-24-14)16(15-7-3-9-25-15)20-13-5-1-4-12(10-13)18(22)23/h1,3-5,7,9-10,14,16,20H,2,6,8,11H2,(H,19,21)(H,22,23)