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

Systemtic Name: methyl (2R)-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl (2R)-2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: (2R)-2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]propionic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H20N2O5S/c1-12(19(24)27-4)28-20-21-15-8-6-5-7-14(15)18(23)22(20)13-9-10-16(25-2)17(11-13)26-3/h5-12H,1-4H3/t12-/m1/s1