methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-quinazolin-4-ylsulfanyl-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-quinazolin-4-ylsulfanyl-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-quinazolin-4-ylsulfanyl-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(4-quinazolinylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-quinazolin-4-ylsulfanylbutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(quinazolin-4-ylthio)butyric acid methyl ester Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H16N4O3S/c1-27-20(26)17(18-23-14-8-4-5-9-15(14)24-18)16(25)10-28-19-12-6-2-3-7-13(12)21-11-22-19/h2-9,11,23-24H,10H2,1H3