1-[2-oxidanylidene-2-[(4-thiocyanatophenyl)amino]ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-[(4-thiocyanatophenyl)amino]ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-oxo-2-(4-thiocyanatoanilino)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-oxo-2-(4-thiocyanatoanilino)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-oxo-2-(4-thiocyanatoanilino)ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-keto-2-(4-thiocyanatoanilino)ethyl]isonipecotic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC(=O)NC2=CC=C(C=C2)SC#N

Isomeric SMILES

C1CN(CCC1C(=O)O)CC(=O)NC2=CC=C(C=C2)SC#N

InChI

InChI=1S/C15H17N3O3S/c16-10-22-13-3-1-12(2-4-13)17-14(19)9-18-7-5-11(6-8-18)15(20)21/h1-4,11H,5-9H2,(H,17,19)(H,20,21)