(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H19N3O4S MolecularWeight: 361.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=CS2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=CS2

InChI

InChI=1S/C17H19N3O4S/c1-11(19)13(9-18)14(21)10-24-17(23)12-4-6-20(7-5-12)16(22)15-3-2-8-25-15/h2-3,8,12-13,19H,4-7,10H2,1H3