(4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]acetate CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]acetic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4,5-dimethoxy-2-methyl-benzyl)thio]acetic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)OCC2=NC(=O)C3=CC=CC=C3N2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)OCC2=NC(=O)C3=CC=CC=C3N2)OC)OC

InChI

InChI=1S/C21H22N2O5S/c1-13-8-17(26-2)18(27-3)9-14(13)11-29-12-20(24)28-10-19-22-16-7-5-4-6-15(16)21(25)23-19/h4-9H,10-12H2,1-3H3,(H,22,23,25)