methyl 3-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxylate CAS Name: 3-[(4-chlorophenyl)methyl]-4-oxo-2-(phenacylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-phenacylsulfanylquinazoline-7-carboxylate Traditional Name: 3-(4-chlorobenzyl)-4-keto-2-(phenacylthio)quinazoline-7-carboxylic acid methyl ester Formula: C25H19ClN2O4S MolecularWeight: 478.94736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H19ClN2O4S/c1-32-24(31)18-9-12-20-21(13-18)27-25(33-15-22(29)17-5-3-2-4-6-17)28(23(20)30)14-16-7-10-19(26)11-8-16/h2-13H,14-15H2,1H3