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

Systemtic Name: dimethyl 5-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethoxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(2-benzylsulfanylethylamino)-2-oxo-ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(2-benzylsulfanylethylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[2-[2-(benzylthio)ethylamino]-2-keto-ethoxy]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OCC(=O)NCCSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OCC(=O)NCCSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H23NO6S/c1-26-20(24)16-10-17(21(25)27-2)12-18(11-16)28-13-19(23)22-8-9-29-14-15-6-4-3-5-7-15/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,22,23)