dimethyl 5-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H19NO5S2 MolecularWeight: 417.49856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C3SCCS3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C3SCCS3)C(=O)OC

InChI

InChI=1S/C20H19NO5S2/c1-25-18(23)14-9-15(19(24)26-2)11-16(10-14)21-17(22)12-3-5-13(6-4-12)20-27-7-8-28-20/h3-6,9-11,20H,7-8H2,1-2H3,(H,21,22)