1-[(3-methylpyridin-4-yl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-methylpyridin-4-yl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-(5-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-(5-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-(5-methyl-2-thienyl)methyl]proline Formula: C17H20N2O2S MolecularWeight: 316.4179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S/c1-11-10-18-8-7-13(11)16(15-6-5-12(2)22-15)19-9-3-4-14(19)17(20)21/h5-8,10,14,16H,3-4,9H2,1-2H3,(H,20,21)