dimethyl 2-[2-(C-morpholin-4-yl-N-phenyl-carbonimidoyl)sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(C-morpholin-4-yl-N-phenyl-carbonimidoyl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(C-morpholino-N-phenyl-carbonimidoyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[4-morpholinyl(phenylimino)methyl]thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(C-morpholino-N-phenyl-carbonimidoyl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C23H25N3O6S/c1-30-21(28)16-8-9-18(22(29)31-2)19(14-16)25-20(27)15-33-23(26-10-12-32-13-11-26)24-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,25,27)