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

Systemtic Name: diethyl (2S)-2-[2-[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]phenyl]ethanoylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[2-[4-[[3-(2-thienyl)quinoxalin-2-yl]amino]phenyl]acetyl]amino]pentanedioate CAS Name: (2S)-2-[[1-oxo-2-[4-[(3-thiophen-2-yl-2-quinoxalinyl)amino]phenyl]ethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[2-[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-[4-[[3-(2-thienyl)quinoxalin-2-yl]amino]phenyl]acetyl]amino]glutaric acid diethyl ester Formula: C29H30N4O5S MolecularWeight: 546.6373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4

InChI

InChI=1S/C29H30N4O5S/c1-3-37-26(35)16-15-23(29(36)38-4-2)31-25(34)18-19-11-13-20(14-12-19)30-28-27(24-10-7-17-39-24)32-21-8-5-6-9-22(21)33-28/h5-14,17,23H,3-4,15-16,18H2,1-2H3,(H,30,33)(H,31,34)/t23-/m0/s1