2-cyanoethanamide; 1-thiophen-2-ylbutane-1,3-dione

Systemtic Name: 2-cyanoethanamide; 1-thiophen-2-ylbutane-1,3-dione Openeye Name: 2-cyanoacetamide; 1-(2-thienyl)butane-1,3-dione CAS Name: 2-cyanoacetamide; 1-thiophen-2-ylbutane-1,3-dione IUPAC Name: 2-cyanoacetamide; 1-thiophen-2-ylbutane-1,3-dione Traditional Name: 2-cyanoacetamide; 1-(2-thienyl)butane-1,3-dione Formula: C11H12N2O3S MolecularWeight: 252.28958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=CC=CS1.C(C#N)C(=O)N

Isomeric SMILES

CC(=O)CC(=O)C1=CC=CS1.C(C#N)C(=O)N

InChI

InChI=1S/C8H8O2S.C3H4N2O/c1-6(9)5-7(10)8-3-2-4-11-8;4-2-1-3(5)6/h2-4H,5H2,1H3;1H2,(H2,5,6)