dimethyl 5-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethoxy]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethoxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-oxo-2-[2-(phenylthio)ethylamino]ethoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[2-keto-2-[2-(phenylthio)ethylamino]ethoxy]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OCC(=O)NCCSC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OCC(=O)NCCSC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H21NO6S/c1-25-19(23)14-10-15(20(24)26-2)12-16(11-14)27-13-18(22)21-8-9-28-17-6-4-3-5-7-17/h3-7,10-12H,8-9,13H2,1-2H3,(H,21,22)