methyl 3-(3-chloranyl-4-fluoranyl-phenyl)-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-chloranyl-4-fluoranyl-phenyl)-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-(3-chloro-4-fluorophenyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-(3-chloro-4-fluorophenyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C26H20ClFN2O5S MolecularWeight: 526.963803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C26H20ClFN2O5S/c1-14(31)15-5-9-23(34-2)17(10-15)13-36-26-29-22-11-16(25(33)35-3)4-7-19(22)24(32)30(26)18-6-8-21(28)20(27)12-18/h4-12H,13H2,1-3H3