diethyl 2-[[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[[3-(2-thienyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate CAS Name: 2-[[oxo-[4-[(3-thiophen-2-yl-2-quinoxalinyl)amino]phenyl]methyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[[3-(2-thienyl)quinoxalin-2-yl]amino]benzoyl]amino]glutaric acid diethyl ester Formula: C28H28N4O5S MolecularWeight: 532.61072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4

InChI

InChI=1S/C28H28N4O5S/c1-3-36-24(33)16-15-22(28(35)37-4-2)32-27(34)18-11-13-19(14-12-18)29-26-25(23-10-7-17-38-23)30-20-8-5-6-9-21(20)31-26/h5-14,17,22H,3-4,15-16H2,1-2H3,(H,29,31)(H,32,34)