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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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