methyl 2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl 2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: 2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: 2-[[3-(2,6-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=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)OC

Isomeric SMILES

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

InChI

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