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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)C)C(=O)OC

InChI

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