(4-methylsulfanylphenyl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [4-(methylthio)benzyl] ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3S/c1-10-15(12(3)19)11(2)18-16(10)17(20)21-9-13-5-7-14(22-4)8-6-13/h5-8,18H,9H2,1-4H3