1-[(4-methylsulfanylphenyl)-thiophen-2-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanylphenyl)-thiophen-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-thiophen-2-ylmethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(2-thienyl)methyl]proline Formula: C17H19NO2S2 MolecularWeight: 333.46826

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=CS2)N3CCCC3C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CS2)N3CCCC3C(=O)O

InChI

InChI=1S/C17H19NO2S2/c1-21-13-8-6-12(7-9-13)16(15-5-3-11-22-15)18-10-2-4-14(18)17(19)20/h3,5-9,11,14,16H,2,4,10H2,1H3,(H,19,20)