(3-methyl-2-sulfanyl-phenyl) 2-(2-methylpyrrol-2-yl)butanoate

Systemtic Name: (3-methyl-2-sulfanyl-phenyl) 2-(2-methylpyrrol-2-yl)butanoate Openeye Name: (3-methyl-2-sulfanyl-phenyl) 2-(2-methylpyrrol-2-yl)butanoate CAS Name: 2-(2-methyl-2-pyrrolyl)butanoic acid (2-mercapto-3-methylphenyl) ester IUPAC Name: (3-methyl-2-sulfanylphenyl) 2-(2-methylpyrrol-2-yl)butanoate Traditional Name: 2-(2-methylpyrrol-2-yl)butyric acid (2-mercapto-3-methyl-phenyl) ester Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=CC=CC(=C1S)C)C2(C=CC=N2)C

Isomeric SMILES

CCC(C(=O)OC1=CC=CC(=C1S)C)C2(C=CC=N2)C

InChI

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