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

Systemtic Name: 1-[2-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-ethyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(3-ethyl-4-oxo-2-benzo[g]quinazolinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(3-ethyl-4-keto-benzo[g]quinazolin-2-yl)thio]acetyl]isonipecotic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H23N3O4S/c1-2-25-20(27)17-11-15-5-3-4-6-16(15)12-18(17)23-22(25)30-13-19(26)24-9-7-14(8-10-24)21(28)29/h3-6,11-12,14H,2,7-10,13H2,1H3,(H,28,29)