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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-thiophen-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-thiophen-2-ylmethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(2-thienyl)methyl]proline Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S/c1-2-12-7-8-13(18-11-12)16(15-6-4-10-22-15)19-9-3-5-14(19)17(20)21/h4,6-8,10-11,14,16H,2-3,5,9H2,1H3,(H,20,21)