methyl 2-[[4-(4-chlorophenyl)carbonylphenyl]methylsulfanyl]-3-methyl-4-oxidanylidene-quinazoline-5-carboxylate

Systemtic Name: methyl 2-[[4-(4-chlorophenyl)carbonylphenyl]methylsulfanyl]-3-methyl-4-oxidanylidene-quinazoline-5-carboxylate Openeye Name: methyl 2-[[4-(4-chlorobenzoyl)phenyl]methylsulfanyl]-3-methyl-4-oxo-quinazoline-5-carboxylate CAS Name: 2-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methylthio]-3-methyl-4-oxo-5-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-chlorobenzoyl)phenyl]methylsulfanyl]-3-methyl-4-oxoquinazoline-5-carboxylate Traditional Name: 2-[[4-(4-chlorobenzoyl)benzyl]thio]-4-keto-3-methyl-quinazoline-5-carboxylic acid methyl ester Formula: C25H19ClN2O4S MolecularWeight: 478.94736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=C(C=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C25H19ClN2O4S/c1-28-23(30)21-19(24(31)32-2)4-3-5-20(21)27-25(28)33-14-15-6-8-16(9-7-15)22(29)17-10-12-18(26)13-11-17/h3-13H,14H2,1-2H3