(2S)-4-[(4-methylsulfanylphenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-4-[(4-methylsulfanylphenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-hydroxy-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-hydroxy-4-[[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-hydroxy-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-hydroxy-4-[4-(methylthio)benzyl]proline Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2(CC(NC2)C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CC2(C[C@H](NC2)C(=O)O)O

InChI

InChI=1S/C13H17NO3S/c1-18-10-4-2-9(3-5-10)6-13(17)7-11(12(15)16)14-8-13/h2-5,11,14,17H,6-8H2,1H3,(H,15,16)/t11-,13?/m0/s1