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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)C

InChI

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