methyl 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(2-hydroxyethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(2-hydroxyethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(2-hydroxyethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(2-hydroxyethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(2-hydroxyethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(2-hydroxyethyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C19H16ClFN2O4S MolecularWeight: 422.857743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CCO

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CCO

InChI

InChI=1S/C19H16ClFN2O4S/c1-27-18(26)11-5-6-12-16(9-11)22-19(23(7-8-24)17(12)25)28-10-13-14(20)3-2-4-15(13)21/h2-6,9,24H,7-8,10H2,1H3