[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-13-8-9-16(12-14(13)2)27-11-10-19(24)26-15(3)20-22-18-7-5-4-6-17(18)21(25)23-20/h4-9,12,15H,10-11H2,1-3H3,(H,22,23,25)/t15-/m1/s1