3-[3-(furan-2-ylcarbonylamino)propanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[3-(furan-2-ylcarbonylamino)propanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-[3-(furan-2-carbonylamino)propanoylamino]thiophene-2-carboxylic acid CAS Name: 3-[[3-[[2-furanyl(oxo)methyl]amino]-1-oxopropyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[3-(furan-2-carbonylamino)propanoylamino]thiophene-2-carboxylic acid Traditional Name: 3-[3-(2-furoylamino)propanoylamino]-2-thenoic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NCCC(=O)NC2=C(SC=C2)C(=O)O

Isomeric SMILES

C1=COC(=C1)C(=O)NCCC(=O)NC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C13H12N2O5S/c16-10(15-8-4-7-21-11(8)13(18)19)3-5-14-12(17)9-2-1-6-20-9/h1-2,4,6-7H,3,5H2,(H,14,17)(H,15,16)(H,18,19)