methyl 2-[[(2R)-oxan-2-yl]methylsulfanyl]-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(2R)-oxan-2-yl]methylsulfanyl]-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]quinazoline-7-carboxylate CAS Name: 2-[[(2R)-2-oxanyl]methylthio]-4-oxo-3-[[(2R)-2-oxolanyl]methyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2R)-oxan-2-yl]methylsulfanyl]-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Traditional Name: 4-keto-3-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-[[(2R)-tetrahydropyran-2-yl]methylthio]quinazoline-7-carboxylic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3CCCCO3)CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC[C@H]3CCCCO3)C[C@H]4CCCO4

InChI

InChI=1S/C21H26N2O5S/c1-26-20(25)14-7-8-17-18(11-14)22-21(29-13-16-5-2-3-9-28-16)23(19(17)24)12-15-6-4-10-27-15/h7-8,11,15-16H,2-6,9-10,12-13H2,1H3/t15-,16-/m1/s1