(E)-4-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)but-2-enoic acid Openeye Name: (E)-4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]but-2-enoic acid CAS Name: (E)-4-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]but-2-enoic acid Traditional Name: (E)-4-keto-4-[4-(2-thenoyl)piperazino]but-2-enoic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC(=O)O)C(=O)C2=CC=CS2

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C(=O)O)C(=O)C2=CC=CS2

InChI

InChI=1S/C13H14N2O4S/c16-11(3-4-12(17)18)14-5-7-15(8-6-14)13(19)10-2-1-9-20-10/h1-4,9H,5-8H2,(H,17,18)/b4-3+