(4-methyl-2-sulfanyl-phenyl) 2-(1-methylpyrrol-2-yl)butanoate

Systemtic Name: (4-methyl-2-sulfanyl-phenyl) 2-(1-methylpyrrol-2-yl)butanoate Openeye Name: (4-methyl-2-sulfanyl-phenyl) 2-(1-methylpyrrol-2-yl)butanoate CAS Name: 2-(1-methyl-2-pyrrolyl)butanoic acid (2-mercapto-4-methylphenyl) ester IUPAC Name: (4-methyl-2-sulfanylphenyl) 2-(1-methylpyrrol-2-yl)butanoate Traditional Name: 2-(1-methylpyrrol-2-yl)butyric acid (2-mercapto-4-methyl-phenyl) ester Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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