methyl 2-[7-chloranyl-4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[7-chloranyl-4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[7-chloro-3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(7-chloro-4-keto-3-o-cumenyl-quinazolin-2-yl)thio]acetic acid methyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)OC

InChI

InChI=1S/C20H19ClN2O3S/c1-12(2)14-6-4-5-7-17(14)23-19(25)15-9-8-13(21)10-16(15)22-20(23)27-11-18(24)26-3/h4-10,12H,11H2,1-3H3