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

Systemtic Name: diethyl 3-methyl-5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H26N4O8S2 MolecularWeight: 550.60454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O8S2/c1-4-34-21(29)17-13(3)18(22(30)35-5-2)37-20(17)25-23(36)24-19(28)14-6-7-15(16(12-14)27(31)32)26-8-10-33-11-9-26/h6-7,12H,4-5,8-11H2,1-3H3,(H2,24,25,28,36)