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

Systemtic Name: diethyl 3-methyl-5-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(2-morpholino-5-nitro-benzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(2-morpholin-4-yl-5-nitrobenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-morpholino-5-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=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

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

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)15-12-14(27(31)32)6-7-16(15)26-8-10-33-11-9-26/h6-7,12H,4-5,8-11H2,1-3H3,(H2,24,25,28,36)