methyl 3-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: 3-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanoate Traditional Name: 3-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)OC

InChI

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