2-[2-[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]phenyl]ethanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]phenyl]ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-[4-[[3-(2-thienyl)quinoxalin-2-yl]amino]phenyl]acetyl]amino]pentanedioic acid CAS Name: 2-[[1-oxo-2-[4-[(3-thiophen-2-yl-2-quinoxalinyl)amino]phenyl]ethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-[4-[[3-(2-thienyl)quinoxalin-2-yl]amino]phenyl]acetyl]amino]glutaric acid Formula: C25H22N4O5S MolecularWeight: 490.53098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)CC(=O)NC(CCC(=O)O)C(=O)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)CC(=O)NC(CCC(=O)O)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C25H22N4O5S/c30-21(27-19(25(33)34)11-12-22(31)32)14-15-7-9-16(10-8-15)26-24-23(20-6-3-13-35-20)28-17-4-1-2-5-18(17)29-24/h1-10,13,19H,11-12,14H2,(H,26,29)(H,27,30)(H,31,32)(H,33,34)