[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-13(19-22-17-6-3-2-5-16(17)20(25)23-19)26-18(24)7-4-12-27-15-10-8-14(21)9-11-15/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,22,23,25)/t13-/m1/s1