ethyl 1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-(4-quinazolinylthio)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-3-carboxylate Traditional Name: 1-[2-(quinazolin-4-ylthio)acetyl]nipecotic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C18H21N3O3S/c1-2-24-18(23)13-6-5-9-21(10-13)16(22)11-25-17-14-7-3-4-8-15(14)19-12-20-17/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3