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

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [4-(methylthio)benzyl] ester Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3S/c1-11(18)13-8-15(17(2)9-13)16(19)20-10-12-4-6-14(21-3)7-5-12/h4-9H,10H2,1-3H3