methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-butanoate Openeye Name: methyl 4-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylbutanoate Traditional Name: 4-[(3-allyl-4-keto-quinazolin-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C23H20N4O4S/c1-3-12-27-21(29)14-8-4-5-9-15(14)26-23(27)32-13-18(28)19(22(30)31-2)20-24-16-10-6-7-11-17(16)25-20/h3-11,24-25H,1,12-13H2,2H3