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

Systemtic Name: 1-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetyl]isonipecotic acid Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O4S/c27-20(25-12-10-17(11-13-25)22(29)30)15-31-23-24-19-9-5-4-8-18(19)21(28)26(23)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,29,30)