tert-butyl 2-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]phenyl]benzoate CAS Name: 2-[4-[[(4-oxo-1H-quinazolin-2-yl)thio]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]phenyl]benzoate Traditional Name: 2-[4-[[(4-keto-1H-quinazolin-2-yl)thio]methyl]phenyl]benzoic acid tert-butyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CSC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CSC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C26H24N2O3S/c1-26(2,3)31-24(30)20-9-5-4-8-19(20)18-14-12-17(13-15-18)16-32-25-27-22-11-7-6-10-21(22)23(29)28-25/h4-15H,16H2,1-3H3,(H,27,28,29)