methyl 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3CCOCO3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC[C@H]3CCOCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O5S/c1-26-20(25)14-7-8-17-18(11-14)22-21(29-12-16-9-10-27-13-28-16)23(19(17)24)15-5-3-2-4-6-15/h2-8,11,16H,9-10,12-13H2,1H3/t16-/m1/s1