[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)O[C@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H20N2O3S/c1-12-8-9-13(2)17(10-12)26-11-18(23)25-14(3)19-21-16-7-5-4-6-15(16)20(24)22-19/h4-10,14H,11H2,1-3H3,(H,21,22,24)/t14-/m1/s1