1-(3-sulfanylpropanoyl)-4-(thiophen-2-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: 1-(3-sulfanylpropanoyl)-4-(thiophen-2-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 1-(3-sulfanylpropanoyl)-4-(2-thienylmethyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-(3-mercapto-1-oxopropyl)-4-(thiophen-2-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 1-(3-sulfanylpropanoyl)-4-(thiophen-2-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-(3-mercaptopropanoyl)-4-(2-thenyl)-3-pyrroline-2-carboxylic acid Formula: C13H15NO3S2 MolecularWeight: 297.3931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(N1C(=O)CCS)C(=O)O)CC2=CC=CS2

Isomeric SMILES

C1C(=CC(N1C(=O)CCS)C(=O)O)CC2=CC=CS2

InChI

InChI=1S/C13H15NO3S2/c15-12(3-4-18)14-8-9(7-11(14)13(16)17)6-10-2-1-5-19-10/h1-2,5,7,11,18H,3-4,6,8H2,(H,16,17)