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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C(=O)OC

InChI

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