diethyl 3-methyl-5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-morpholino-3-nitro-benzoyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-morpholino-3-nitro-benzoyl)amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H25N3O8S MolecularWeight: 491.5142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O8S/c1-4-32-21(27)17-13(3)18(22(28)33-5-2)34-20(17)23-19(26)14-6-7-15(16(12-14)25(29)30)24-8-10-31-11-9-24/h6-7,12H,4-5,8-11H2,1-3H3,(H,23,26)