methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(2-methyl-4-quinazolinyl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(2-methylquinazolin-4-yl)thio]butyric acid methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C21H18N4O3S/c1-12-22-14-8-4-3-7-13(14)20(23-12)29-11-17(26)18(21(27)28-2)19-24-15-9-5-6-10-16(15)25-19/h3-10,24-25H,11H2,1-2H3