tert-butyl 2-[4-[(2-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[(2-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(2-methylsulfanyl-4-oxo-quinazolin-3-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[[2-(methylthio)-4-oxo-3-quinazolinyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(2-methylsulfanyl-4-oxoquinazolin-3-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-keto-2-(methylthio)quinazolin-3-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SC

InChI

InChI=1S/C27H26N2O3S/c1-27(2,3)32-25(31)21-10-6-5-9-20(21)19-15-13-18(14-16-19)17-29-24(30)22-11-7-8-12-23(22)28-26(29)33-4/h5-16H,17H2,1-4H3