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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=C(C=NC=C2)C)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=C(C=NC=C2)C)N3CCCC3C(=O)O

InChI

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