(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C23H16Cl2N2O3S MolecularWeight: 471.35574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C23H16Cl2N2O3S/c24-16-5-8-18(9-6-16)31-13-14-1-3-15(4-2-14)23(29)30-12-21-26-20-11-17(25)7-10-19(20)22(28)27-21/h1-11H,12-13H2,(H,26,27,28)