methyl 2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-chloro-5-methylsulfanyl-benzoyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[2-chloro-5-(methylthio)phenyl]-oxomethoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[2-chloro-5-(methylthio)benzoyl]oxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H15ClN2O5S MolecularWeight: 418.8508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C19H15ClN2O5S/c1-26-18(24)10-3-5-12-15(7-10)21-16(22-17(12)23)9-27-19(25)13-8-11(28-2)4-6-14(13)20/h3-8H,9H2,1-2H3,(H,21,22,23)