methyl 2-[2-[[(2R)-oxan-2-yl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[[(2R)-oxan-2-yl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]quinazolin-3-yl]acetate CAS Name: 2-[2-[[(2R)-2-oxanyl]methylthio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[[(2R)-oxan-2-yl]methylsulfanyl]-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[[(2R)-tetrahydropyran-2-yl]methylthio]quinazolin-3-yl]acetic acid methyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3CCCCO3

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SC[C@H]3CCCCO3

InChI

InChI=1S/C17H20N2O4S/c1-22-15(20)10-19-16(21)13-7-2-3-8-14(13)18-17(19)24-11-12-6-4-5-9-23-12/h2-3,7-8,12H,4-6,9-11H2,1H3/t12-/m1/s1