methyl 1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-4-carboxylate Openeye Name: methyl 1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(4-quinazolinylthio)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 1-[2-(quinazolin-4-ylthio)acetyl]isonipecotic acid methyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C17H19N3O3S/c1-23-17(22)12-6-8-20(9-7-12)15(21)10-24-16-13-4-2-3-5-14(13)18-11-19-16/h2-5,11-12H,6-10H2,1H3