1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-(4-quinazolinylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxylic acid Traditional Name: 1-[2-(quinazolin-4-ylthio)acetyl]isonipecotic acid Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C16H17N3O3S/c20-14(19-7-5-11(6-8-19)16(21)22)9-23-15-12-3-1-2-4-13(12)17-10-18-15/h1-4,10-11H,5-9H2,(H,21,22)