methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]butyric acid methyl ester Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C23H20N4O3S/c1-14-12-18(15-8-4-3-5-9-15)27-23(24-14)31-13-19(28)20(22(29)30-2)21-25-16-10-6-7-11-17(16)26-21/h3-12,25-26H,13H2,1-2H3