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

Systemtic Name: 1-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetyl]isonipecotic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H23N3O4S/c1-12(2)22-17(24)14-5-3-4-6-15(14)20-19(22)27-11-16(23)21-9-7-13(8-10-21)18(25)26/h3-6,12-13H,7-11H2,1-2H3,(H,25,26)