ethyl 4-cyano-3-methyl-5-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(2-morpholino-5-nitro-benzoyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(2-morpholino-5-nitro-benzoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H20N4O6S MolecularWeight: 444.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O6S/c1-3-30-20(26)17-12(2)15(11-21)19(31-17)22-18(25)14-10-13(24(27)28)4-5-16(14)23-6-8-29-9-7-23/h4-5,10H,3,6-9H2,1-2H3,(H,22,25)