ethyl 1-[2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C22H28ClN3O4S MolecularWeight: 465.99342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C22H28ClN3O4S/c1-4-10-26-20(28)17-7-6-16(23)13-18(17)24-22(26)31-14(3)19(27)25-11-8-15(9-12-25)21(29)30-5-2/h6-7,13-15H,4-5,8-12H2,1-3H3