dimethyl 4-[3-[2-(phenylmethylsulfanyl)ethanoylamino]phenoxy]benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[3-[2-(phenylmethylsulfanyl)ethanoylamino]phenoxy]benzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[3-[(2-benzylsulfanylacetyl)amino]phenoxy]benzene-1,2-dicarboxylate CAS Name: 4-[3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]phenoxy]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[3-[(2-benzylsulfanylacetyl)amino]phenoxy]benzene-1,2-dicarboxylate Traditional Name: 4-[3-[[2-(benzylthio)acetyl]amino]phenoxy]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C25H23NO6S MolecularWeight: 465.51822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)OC2=CC=CC(=C2)NC(=O)CSCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)OC2=CC=CC(=C2)NC(=O)CSCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H23NO6S/c1-30-24(28)21-12-11-20(14-22(21)25(29)31-2)32-19-10-6-9-18(13-19)26-23(27)16-33-15-17-7-4-3-5-8-17/h3-14H,15-16H2,1-2H3,(H,26,27)