2-[1-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[(1-ethyl-2-pyrrolidinyl)methyl]-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-yl]thio]acetic acid Formula: C12H19N3O2S MolecularWeight: 269.36316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CN2C=CN=C2SCC(=O)O

Isomeric SMILES

CCN1CCCC1CN2C=CN=C2SCC(=O)O

InChI

InChI=1S/C12H19N3O2S/c1-2-14-6-3-4-10(14)8-15-7-5-13-12(15)18-9-11(16)17/h5,7,10H,2-4,6,8-9H2,1H3,(H,16,17)