methyl 4-[3-(4-ethanoylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[3-(4-ethanoylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 4-[3-(4-acetylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[3-(4-acetylphenyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-(4-acetylphenyl)-4-keto-quinazolin-2-yl]thio]-3-keto-butyric acid methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S/c1-13(24)14-7-9-15(10-8-14)23-20(27)17-5-3-4-6-18(17)22-21(23)29-12-16(25)11-19(26)28-2/h3-10H,11-12H2,1-2H3