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

Systemtic Name: 1-[2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]acetyl]isonipecotic acid Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H27N3O5S/c1-2-29-13-5-10-24-19(26)16-6-3-4-7-17(16)22-21(24)30-14-18(25)23-11-8-15(9-12-23)20(27)28/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,27,28)