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

Systemtic Name: methyl 4-[4-oxidanylidene-2-(phenylmethylsulfanyl)quinazolin-3-yl]benzoate Openeye Name: methyl 4-(2-benzylsulfanyl-4-oxo-quinazolin-3-yl)benzoate CAS Name: 4-[4-oxo-2-(phenylmethylthio)-3-quinazolinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)benzoate Traditional Name: 4-[2-(benzylthio)-4-keto-quinazolin-3-yl]benzoic acid methyl ester Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C23H18N2O3S/c1-28-22(27)17-11-13-18(14-12-17)25-21(26)19-9-5-6-10-20(19)24-23(25)29-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3