[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H20N2O4S/c1-13(20-22-17-6-4-3-5-16(17)21(26)23-20)27-19(25)12-11-18(24)14-7-9-15(28-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,23,26)/t13-/m1/s1