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

Systemtic Name: methyl 4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Openeye Name: methyl 2-acetonylsulfanyl-4-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[(2R)-2-oxolanyl]methyl]-2-(2-oxopropylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopropylsulfanyl)quinazoline-7-carboxylate Traditional Name: 2-(acetonylthio)-4-keto-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3CCCO3

Isomeric SMILES

CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C[C@H]3CCCO3

InChI

InChI=1S/C18H20N2O5S/c1-11(21)10-26-18-19-15-8-12(17(23)24-2)5-6-14(15)16(22)20(18)9-13-4-3-7-25-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3/t13-/m1/s1