1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(5-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(5-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-methyl-2-thienyl)-[4-(methylthio)phenyl]methyl]proline Formula: C18H21NO2S2 MolecularWeight: 347.49484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

InChI

InChI=1S/C18H21NO2S2/c1-12-5-10-16(23-12)17(13-6-8-14(22-2)9-7-13)19-11-3-4-15(19)18(20)21/h5-10,15,17H,3-4,11H2,1-2H3,(H,20,21)