methyl 2-methylsulfanyl-4-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-methylsulfanyl-4-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-methylsulfanyl-4-[(2-morpholino-5-nitro-benzoyl)amino]thiazole-5-carboxylate CAS Name: 2-(methylthio)-4-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-4-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-(methylthio)-4-[(2-morpholino-5-nitro-benzoyl)amino]thiazole-5-carboxylic acid methyl ester Formula: C17H18N4O6S2 MolecularWeight: 438.47802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(S1)SC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(N=C(S1)SC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H18N4O6S2/c1-26-16(23)13-14(19-17(28-2)29-13)18-15(22)11-9-10(21(24)25)3-4-12(11)20-5-7-27-8-6-20/h3-4,9H,5-8H2,1-2H3,(H,18,22)