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

Systemtic Name: ethyl 1-[2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C21H26ClN3O4S/c1-3-9-25-19(27)16-8-7-15(22)11-17(16)23-21(25)30-13-18(26)24-10-5-6-14(12-24)20(28)29-4-2/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3