(4-methylsulfanylphenyl) 2-(1-methylpyrrol-2-yl)butanoate

Systemtic Name: (4-methylsulfanylphenyl) 2-(1-methylpyrrol-2-yl)butanoate Openeye Name: (4-methylsulfanylphenyl) 2-(1-methylpyrrol-2-yl)butanoate CAS Name: 2-(1-methyl-2-pyrrolyl)butanoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 2-(1-methylpyrrol-2-yl)butanoate Traditional Name: 2-(1-methylpyrrol-2-yl)butyric acid [4-(methylthio)phenyl] ester Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CN1C)C(=O)OC2=CC=C(C=C2)SC

Isomeric SMILES

CCC(C1=CC=CN1C)C(=O)OC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H19NO2S/c1-4-14(15-6-5-11-17(15)2)16(18)19-12-7-9-13(20-3)10-8-12/h5-11,14H,4H2,1-3H3