methyl 2-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[(5-acetyl-2-methoxyphenyl)methylthio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[(5-acetyl-2-methoxy-benzyl)thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C21H20N2O5S/c1-13(24)14-8-9-18(27-2)15(10-14)12-29-21-22-17-7-5-4-6-16(17)20(26)23(21)11-19(25)28-3/h4-10H,11-12H2,1-3H3