diethyl 3-methyl-5-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-morpholino-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[4-(4-morpholinyl)-2,1,3-benzoxadiazol-7-yl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(7-morpholinobenzofurazan-4-yl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H25N5O6S2 MolecularWeight: 519.5938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C3=NON=C23)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C3=NON=C23)N4CCOCC4

InChI

InChI=1S/C22H25N5O6S2/c1-4-31-20(28)15-12(3)18(21(29)32-5-2)35-19(15)24-22(34)23-13-6-7-14(17-16(13)25-33-26-17)27-8-10-30-11-9-27/h6-7H,4-5,8-11H2,1-3H3,(H2,23,24,34)