O1-methyl O4-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] benzene-1,4-dicarboxylate Openeye Name: O4-[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: 4-O-[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester O1-methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-25-19(23)16-7-9-17(10-8-16)20(24)26-13-18(22)21-11-12-27-14-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,21,22)