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

Systemtic Name: ethyl 4-methyl-2-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-morpholino-3-nitro-benzoyl)amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(4-morpholino-3-nitro-benzoyl)amino]thiazole-5-carboxylic acid ethyl ester Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O6S/c1-3-28-17(24)15-11(2)19-18(29-15)20-16(23)12-4-5-13(14(10-12)22(25)26)21-6-8-27-9-7-21/h4-5,10H,3,6-9H2,1-2H3,(H,19,20,23)