O2-ethyl O4-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: 4-O-[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester O2-ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)C

InChI

InChI=1S/C21H26N2O5S/c1-4-27-21(26)19-14(2)18(15(3)23-19)20(25)28-12-17(24)22-10-11-29-13-16-8-6-5-7-9-16/h5-9,23H,4,10-13H2,1-3H3,(H,22,24)