diethyl 3-methyl-5-[(4-morpholin-4-ylcarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-morpholin-4-ylcarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H27N3O6S2 MolecularWeight: 505.60698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C23H27N3O6S2/c1-4-31-21(28)17-14(3)18(22(29)32-5-2)34-19(17)25-23(33)24-16-8-6-15(7-9-16)20(27)26-10-12-30-13-11-26/h6-9H,4-5,10-13H2,1-3H3,(H2,24,25,33)