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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[1-(o-tolyl)imidazol-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[1-(2-methylphenyl)-2-imidazolyl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[1-(o-tolyl)imidazol-2-yl]thio]butyric acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C22H20N4O3S/c1-14-7-3-6-10-17(14)26-12-11-23-22(26)30-13-18(27)19(21(28)29-2)20-24-15-8-4-5-9-16(15)25-20/h3-12,24-25H,13H2,1-2H3