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

Systemtic Name: O4-methyl O2-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl 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 O4-methyl ester O2-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: 4-O-methyl 2-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-[2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester O4-methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-12-16(18(23)25-3)13(2)21-17(12)19(24)26-11-15(22)20-9-10-27-14-7-5-4-6-8-14/h4-8,21H,9-11H2,1-3H3,(H,20,22)