4-(phenylmethyl)-1-(2-sulfanylethanoyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: 4-(phenylmethyl)-1-(2-sulfanylethanoyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 4-benzyl-1-(2-sulfanylacetyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-(2-mercapto-1-oxoethyl)-4-(phenylmethyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 4-benzyl-1-(2-sulfanylacetyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 4-benzyl-1-(2-mercaptoacetyl)-3-pyrroline-2-carboxylic acid Formula: C14H15NO3S MolecularWeight: 277.3388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(N1C(=O)CS)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1C(=CC(N1C(=O)CS)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C14H15NO3S/c16-13(9-19)15-8-11(7-12(15)14(17)18)6-10-4-2-1-3-5-10/h1-5,7,12,19H,6,8-9H2,(H,17,18)