(3-methylquinoxalin-2-yl)methyl 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 2-[(2-chloro-5-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chloro-5-nitro-benzoyl)amino]-4-(methylthio)butyric acid (3-methylquinoxalin-2-yl)methyl ester Formula: C22H21ClN4O5S MolecularWeight: 488.94394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C(CCSC)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C(CCSC)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN4O5S/c1-13-20(25-18-6-4-3-5-17(18)24-13)12-32-22(29)19(9-10-33-2)26-21(28)15-11-14(27(30)31)7-8-16(15)23/h3-8,11,19H,9-10,12H2,1-2H3,(H,26,28)