2-acetamido-2-(thiophen-3-ylmethyl)propanedioic acid

Systemtic Name: 2-acetamido-2-(thiophen-3-ylmethyl)propanedioic acid Openeye Name: 2-acetamido-2-(3-thienylmethyl)propanedioic acid CAS Name: 2-acetamido-2-(3-thiophenylmethyl)propanedioic acid IUPAC Name: 2-acetamido-2-(thiophen-3-ylmethyl)propanedioic acid Traditional Name: 2-acetamido-2-(3-thenyl)malonic acid Formula: C10H11NO5S MolecularWeight: 257.26304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CSC=C1)(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CSC=C1)(C(=O)O)C(=O)O

InChI

InChI=1S/C10H11NO5S/c1-6(12)11-10(8(13)14,9(15)16)4-7-2-3-17-5-7/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)(H,15,16)