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

Systemtic Name: O2-ethyl O4-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-ethyl O4-[2-oxo-2-(2-phenylsulfanylethylamino)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-(phenylthio)ethylamino]ethyl] ester IUPAC Name: 2-O-ethyl 4-O-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NCCSC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NCCSC2=CC=CC=C2)C

InChI

InChI=1S/C20H24N2O5S/c1-4-26-20(25)18-13(2)17(14(3)22-18)19(24)27-12-16(23)21-10-11-28-15-8-6-5-7-9-15/h5-9,22H,4,10-12H2,1-3H3,(H,21,23)