5-[bis(cyanomethyl)carbamoyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[bis(cyanomethyl)carbamoyl]thiophene-2-carboxylic acid Openeye Name: 5-[bis(cyanomethyl)carbamoyl]thiophene-2-carboxylic acid CAS Name: 5-[[bis(cyanomethyl)amino]-oxomethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[bis(cyanomethyl)carbamoyl]thiophene-2-carboxylic acid Traditional Name: 5-[bis(cyanomethyl)carbamoyl]-2-thenoic acid Formula: C10H7N3O3S MolecularWeight: 249.24588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(=O)O)C(=O)N(CC#N)CC#N

Isomeric SMILES

C1=C(SC(=C1)C(=O)O)C(=O)N(CC#N)CC#N

InChI

InChI=1S/C10H7N3O3S/c11-3-5-13(6-4-12)9(14)7-1-2-8(17-7)10(15)16/h1-2H,5-6H2,(H,15,16)