1-[(2,4-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2,4-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(4-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-(4-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(4-methyl-2-thienyl)methyl]proline Formula: C19H23NO2S MolecularWeight: 329.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC(=CS2)C)N3CCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC(=CS2)C)N3CCCC3C(=O)O)C

InChI

InChI=1S/C19H23NO2S/c1-12-6-7-15(14(3)9-12)18(17-10-13(2)11-23-17)20-8-4-5-16(20)19(21)22/h6-7,9-11,16,18H,4-5,8H2,1-3H3,(H,21,22)