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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]butyric acid methyl ester Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C(=O)OC

InChI

InChI=1S/C27H22N4O4S/c1-16-11-13-17(14-12-16)31-25(33)18-7-3-4-8-19(18)30-27(31)36-15-22(32)23(26(34)35-2)24-28-20-9-5-6-10-21(20)29-24/h3-14,28-29H,15H2,1-2H3