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

Systemtic Name: dimethyl 5-[2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)C3SCCS3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)C3SCCS3)C(=O)OC

InChI

InChI=1S/C21H21NO6S2/c1-26-19(24)14-9-15(20(25)27-2)11-16(10-14)22-18(23)12-28-17-5-3-13(4-6-17)21-29-7-8-30-21/h3-6,9-11,21H,7-8,12H2,1-2H3,(H,22,23)