(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C23H14ClN3O3S MolecularWeight: 447.89356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C23H14ClN3O3S/c24-15-9-10-16-18(11-15)26-21(27-22(16)28)13-30-23(29)17-6-2-4-8-20(17)31-19-7-3-1-5-14(19)12-25/h1-11H,13H2,(H,26,27,28)