methyl (2R)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl (2R)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl (2R)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: (2R)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)OC)C

InChI

InChI=1S/C20H20N2O3S/c1-12-9-13(2)11-15(10-12)22-18(23)16-7-5-6-8-17(16)21-20(22)26-14(3)19(24)25-4/h5-11,14H,1-4H3/t14-/m1/s1