methyl 4-[2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H21N3O4S/c1-16-7-3-6-10-21(16)28-23(30)19-8-4-5-9-20(19)27-25(28)33-15-22(29)26-18-13-11-17(12-14-18)24(31)32-2/h3-14H,15H2,1-2H3,(H,26,29)