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

Systemtic Name: dimethyl 5-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(1,3-dithian-2-yl)benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(1,3-dithian-2-yl)benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(1,3-dithian-2-yl)benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C3SCCCS3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C3SCCCS3)C(=O)OC

InChI

InChI=1S/C21H21NO5S2/c1-26-19(24)15-10-16(20(25)27-2)12-17(11-15)22-18(23)13-4-6-14(7-5-13)21-28-8-3-9-29-21/h4-7,10-12,21H,3,8-9H2,1-2H3,(H,22,23)