4-[2-azanyl-2-oxidanylidene-1-(1,3,4-thiadiazol-2-yl)ethyl]-4-phenyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[2-azanyl-2-oxidanylidene-1-(1,3,4-thiadiazol-2-yl)ethyl]-4-phenyl-piperidine-1-carboxylic acid Openeye Name: 4-[2-amino-2-oxo-1-(1,3,4-thiadiazol-2-yl)ethyl]-4-phenyl-piperidine-1-carboxylic acid CAS Name: 4-[2-amino-2-oxo-1-(1,3,4-thiadiazol-2-yl)ethyl]-4-phenyl-1-piperidinecarboxylic acid IUPAC Name: 4-[2-amino-2-oxo-1-(1,3,4-thiadiazol-2-yl)ethyl]-4-phenylpiperidine-1-carboxylic acid Traditional Name: 4-[2-amino-2-keto-1-(1,3,4-thiadiazol-2-yl)ethyl]-4-phenyl-piperidine-1-carboxylic acid Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(C3=NN=CS3)C(=O)N)C(=O)O

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(C3=NN=CS3)C(=O)N)C(=O)O

InChI

InChI=1S/C16H18N4O3S/c17-13(21)12(14-19-18-10-24-14)16(11-4-2-1-3-5-11)6-8-20(9-7-16)15(22)23/h1-5,10,12H,6-9H2,(H2,17,21)(H,22,23)