diethyl (2S)-2-[[4-(5,7-dinitro-3-phenyl-quinoxalin-2-yl)sulfanylphenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-(5,7-dinitro-3-phenyl-quinoxalin-2-yl)sulfanylphenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-(5,7-dinitro-3-phenyl-quinoxalin-2-yl)sulfanylbenzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(5,7-dinitro-3-phenyl-2-quinoxalinyl)thio]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-(5,7-dinitro-3-phenylquinoxalin-2-yl)sulfanylbenzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(5,7-dinitro-3-phenyl-quinoxalin-2-yl)thio]benzoyl]amino]glutaric acid diethyl ester Formula: C30H27N5O9S MolecularWeight: 633.62848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)SC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)SC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C30H27N5O9S/c1-3-43-25(36)15-14-22(30(38)44-4-2)31-28(37)19-10-12-21(13-11-19)45-29-26(18-8-6-5-7-9-18)33-27-23(32-29)16-20(34(39)40)17-24(27)35(41)42/h5-13,16-17,22H,3-4,14-15H2,1-2H3,(H,31,37)/t22-/m0/s1