(2S)-2-(2-methylsulfanylethyl)-5-oxidanyl-3-oxidanylidene-1-(phenylmethyl)-2H-pyrrole-4-carbonitrile

Systemtic Name: (2S)-2-(2-methylsulfanylethyl)-5-oxidanyl-3-oxidanylidene-1-(phenylmethyl)-2H-pyrrole-4-carbonitrile Openeye Name: (2S)-1-benzyl-5-hydroxy-2-(2-methylsulfanylethyl)-3-oxo-2H-pyrrole-4-carbonitrile CAS Name: (2S)-5-hydroxy-2-[2-(methylthio)ethyl]-3-oxo-1-(phenylmethyl)-2H-pyrrole-4-carbonitrile IUPAC Name: (2S)-1-benzyl-5-hydroxy-2-(2-methylsulfanylethyl)-3-oxo-2H-pyrrole-4-carbonitrile Traditional Name: (5S)-1-benzyl-2-hydroxy-4-keto-5-[2-(methylthio)ethyl]-2-pyrroline-3-carbonitrile Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1C(=O)C(=C(N1CC2=CC=CC=C2)O)C#N

Isomeric SMILES

CSCC[C@H]1C(=O)C(=C(N1CC2=CC=CC=C2)O)C#N

InChI

InChI=1S/C15H16N2O2S/c1-20-8-7-13-14(18)12(9-16)15(19)17(13)10-11-5-3-2-4-6-11/h2-6,13,19H,7-8,10H2,1H3/t13-/m0/s1