ethyl 2-[3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-chloro-3-(2,4-dichloro-5-isopropoxy-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-chloro-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-chloro-3-(2,4-dichloro-5-isopropoxy-phenyl)-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C21H19Cl3N2O4S MolecularWeight: 501.81056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC(=C(C=C3Cl)Cl)OC(C)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC(=C(C=C3Cl)Cl)OC(C)C

InChI

InChI=1S/C21H19Cl3N2O4S/c1-4-29-19(27)10-31-21-25-16-7-12(22)5-6-13(16)20(28)26(21)17-9-18(30-11(2)3)15(24)8-14(17)23/h5-9,11H,4,10H2,1-3H3