methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-quinazolin-3-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-(phenethylamino)ethyl]thio]quinazolin-3-yl]acetic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-28-19(26)13-24-20(27)16-9-5-6-10-17(16)23-21(24)29-14-18(25)22-12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,22,25)