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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(4-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-(4-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(4-methyl-2-thienyl)methyl]proline Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC(=CS2)C)N3CCCC3C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC(=CS2)C)N3CCCC3C(=O)O

InChI

InChI=1S/C18H22N2O2S/c1-3-13-6-7-14(19-10-13)17(16-9-12(2)11-23-16)20-8-4-5-15(20)18(21)22/h6-7,9-11,15,17H,3-5,8H2,1-2H3,(H,21,22)