methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-(ethylamino)-2-quinazolinyl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-(ethylamino)quinazolin-2-yl]thio]-3-keto-butyric acid methyl ester Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C22H21N5O3S/c1-3-23-19-13-8-4-5-9-14(13)26-22(27-19)31-12-17(28)18(21(29)30-2)20-24-15-10-6-7-11-16(15)25-20/h4-11,24-25H,3,12H2,1-2H3,(H,23,26,27)