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

Systemtic Name: dimethyl 5-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethoxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-oxo-2-(3-phenylsulfanylpropylamino)ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-oxo-2-[3-(phenylthio)propylamino]ethoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-oxo-2-(3-phenylsulfanylpropylamino)ethoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[2-keto-2-[3-(phenylthio)propylamino]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)NCCCSC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OCC(=O)NCCCSC2=CC=CC=C2)C(=O)OC

InChI

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