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

Systemtic Name: O2-ethyl O4-[(4-methylsulfanylphenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-ethyl O4-[(4-methylsulfanylphenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[[4-(methylthio)phenyl]methyl] ester IUPAC Name: 2-O-ethyl 4-O-[(4-methylsulfanylphenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[4-(methylthio)benzyl] ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=CC=C(C=C2)SC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=CC=C(C=C2)SC)C

InChI

InChI=1S/C18H21NO4S/c1-5-22-18(21)16-11(2)15(12(3)19-16)17(20)23-10-13-6-8-14(24-4)9-7-13/h6-9,19H,5,10H2,1-4H3