2-[[(3,4-diethylthiophen-2-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(3,4-diethylthiophen-2-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(3,4-diethyl-2-thienyl)amino]methylene]propanedioic acid CAS Name: 2-[[(3,4-diethyl-2-thiophenyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(3,4-diethylthiophen-2-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(3,4-diethyl-2-thienyl)amino]methylene]malonic acid Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=C1CC)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CCC1=CSC(=C1CC)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-3-7-6-18-10(8(7)4-2)13-5-9(11(14)15)12(16)17/h5-6,13H,3-4H2,1-2H3,(H,14,15)(H,16,17)