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

Systemtic Name: methyl 2-[(2-methoxy-4-methylsulfanyl-phenyl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-methoxy-4-methylsulfanyl-benzoyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[2-methoxy-4-(methylthio)phenyl]-oxomethoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-methoxy-4-(methylthio)benzoyl]oxymethyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18N2O6S/c1-26-16-9-12(29-3)5-7-14(16)20(25)28-10-17-21-15-8-11(19(24)27-2)4-6-13(15)18(23)22-17/h4-9H,10H2,1-3H3,(H,21,22,23)