methyl 2-(6,7,8-trimethoxy-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(6,7,8-trimethoxy-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-(6,7,8-trimethoxy-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(6,7,8-trimethoxy-4-oxo-3-phenyl-2-quinazolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(6,7,8-trimethoxy-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-6,7,8-trimethoxy-3-phenyl-quinazolin-2-yl)thio]acetic acid methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=O)N(C(=N2)SCC(=O)OC)C3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=O)N(C(=N2)SCC(=O)OC)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C20H20N2O6S/c1-25-14-10-13-16(18(28-4)17(14)27-3)21-20(29-11-15(23)26-2)22(19(13)24)12-8-6-5-7-9-12/h5-10H,11H2,1-4H3