dimethyl 5-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethoxy]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20ClNO6S MolecularWeight: 437.8939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO6S/c1-26-19(24)13-9-14(20(25)27-2)11-16(10-13)28-12-18(23)22-7-8-29-17-5-3-15(21)4-6-17/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,23)