(4-methylsulfanylphenyl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [4-(methylthio)benzyl] ester Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C15H15NO3S/c1-10(17)12-7-14(16-8-12)15(18)19-9-11-3-5-13(20-2)6-4-11/h3-8,16H,9H2,1-2H3