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

Systemtic Name: dimethyl 3-methyl-5-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H21N5O6S2 MolecularWeight: 491.54064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C3=NON=C23)N4CCOCC4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C3=NON=C23)N4CCOCC4)C(=O)OC

InChI

InChI=1S/C20H21N5O6S2/c1-10-13(18(26)28-2)17(33-16(10)19(27)29-3)22-20(32)21-11-4-5-12(15-14(11)23-31-24-15)25-6-8-30-9-7-25/h4-5H,6-9H2,1-3H3,(H2,21,22,32)