methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-3-[(2S)-2-hydroxypropyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-[(2S)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-3-[(2S)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H18ClFN2O4S MolecularWeight: 436.884323

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=C(C=C(C=C3)F)Cl)O

Isomeric SMILES

C[C@@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=C(C=C(C=C3)F)Cl)O

InChI

InChI=1S/C20H18ClFN2O4S/c1-11(25)9-24-18(26)15-6-4-12(19(27)28-2)7-17(15)23-20(24)29-10-13-3-5-14(22)8-16(13)21/h3-8,11,25H,9-10H2,1-2H3/t11-/m0/s1