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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C21H21N5O6S2 MolecularWeight: 503.55134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O6S2/c1-3-32-20(28)17-12(2)14(11-22)19(34-17)24-21(33)23-18(27)13-4-5-15(16(10-13)26(29)30)25-6-8-31-9-7-25/h4-5,10H,3,6-9H2,1-2H3,(H2,23,24,27,33)