1-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]isonipecotic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H21N3O4S/c1-2-21-16(23)13-5-3-4-6-14(13)19-18(21)26-11-15(22)20-9-7-12(8-10-20)17(24)25/h3-6,12H,2,7-11H2,1H3,(H,24,25)