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

Systemtic Name: O2-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-isopropyl O2-[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-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-isopropyl ester O2-[2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

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