methyl 3-[2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3CCOCO3

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SC[C@H]3CCOCO3

InChI

InChI=1S/C17H20N2O5S/c1-22-15(20)6-8-19-16(21)13-4-2-3-5-14(13)18-17(19)25-10-12-7-9-23-11-24-12/h2-5,12H,6-11H2,1H3/t12-/m1/s1