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

Systemtic Name: O4-methyl O2-[(4-methylsulfanylphenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[(4-methylsulfanylphenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[[4-(methylthio)phenyl]methyl] ester IUPAC Name: 4-O-methyl 2-O-[(4-methylsulfanylphenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[4-(methylthio)benzyl] ester Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H19NO4S/c1-10-14(16(19)21-3)11(2)18-15(10)17(20)22-9-12-5-7-13(23-4)8-6-12/h5-8,18H,9H2,1-4H3