[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C16H17NO3S/c1-12-4-6-13(7-5-12)21-10-8-16(19)20-11-15(18)14-3-2-9-17-14/h2-7,9,17H,8,10-11H2,1H3