1-[(4-ethylphenyl)-thiophen-2-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-ethylphenyl)-thiophen-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(2-thienyl)methyl]proline Formula: C18H21NO2S MolecularWeight: 315.42984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2S/c1-2-13-7-9-14(10-8-13)17(16-6-4-12-22-16)19-11-3-5-15(19)18(20)21/h4,6-10,12,15,17H,2-3,5,11H2,1H3,(H,20,21)