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

Systemtic Name: 4-(furan-2-ylmethyl)-1-(2-sulfanylethanoyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 4-(2-furylmethyl)-1-(2-sulfanylacetyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 4-(2-furanylmethyl)-1-(2-mercapto-1-oxoethyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 4-(furan-2-ylmethyl)-1-(2-sulfanylacetyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 4-(2-furfuryl)-1-(2-mercaptoacetyl)-3-pyrroline-2-carboxylic acid Formula: C12H13NO4S MolecularWeight: 267.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(N1C(=O)CS)C(=O)O)CC2=CC=CO2

Isomeric SMILES

C1C(=CC(N1C(=O)CS)C(=O)O)CC2=CC=CO2

InChI

InChI=1S/C12H13NO4S/c14-11(7-18)13-6-8(5-10(13)12(15)16)4-9-2-1-3-17-9/h1-3,5,10,18H,4,6-7H2,(H,15,16)