7-chloranyl-2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methylthio]-7-chloro-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-ethoxy-benzyl)thio]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Formula: C22H23ClN2O4S MolecularWeight: 446.94702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

InChI

InChI=1S/C22H23ClN2O4S/c1-4-29-20-8-5-15(14(2)26)11-16(20)13-30-22-24-19-12-17(23)6-7-18(19)21(27)25(22)9-10-28-3/h5-8,11-12H,4,9-10,13H2,1-3H3