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

Systemtic Name: (4-sulfanylphenyl) 2-(1-methylpyrrol-2-yl)butanoate Openeye Name: (4-sulfanylphenyl) 2-(1-methylpyrrol-2-yl)butanoate CAS Name: 2-(1-methyl-2-pyrrolyl)butanoic acid (4-mercaptophenyl) ester IUPAC Name: (4-sulfanylphenyl) 2-(1-methylpyrrol-2-yl)butanoate Traditional Name: 2-(1-methylpyrrol-2-yl)butyric acid (4-mercaptophenyl) ester Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO2S/c1-3-13(14-5-4-10-16(14)2)15(17)18-11-6-8-12(19)9-7-11/h4-10,13,19H,3H2,1-2H3