methyl 2-[4-oxidanylidene-2-(quinolin-8-ylmethylsulfanyl)quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-(quinolin-8-ylmethylsulfanyl)quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-(8-quinolylmethylsulfanyl)quinazolin-3-yl]acetate CAS Name: 2-[4-oxo-2-(8-quinolinylmethylthio)-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-(quinolin-8-ylmethylsulfanyl)quinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-(8-quinolylmethylthio)quinazolin-3-yl]acetic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-27-18(25)12-24-20(26)16-9-2-3-10-17(16)23-21(24)28-13-15-7-4-6-14-8-5-11-22-19(14)15/h2-11H,12-13H2,1H3