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

Systemtic Name: methyl 2-(cyanomethylsulfanyl)-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Openeye Name: methyl 2-(cyanomethylsulfanyl)-4-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylate CAS Name: 2-(cyanomethylthio)-4-oxo-3-[[(2R)-2-oxolanyl]methyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethylsulfanyl)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Traditional Name: 2-(cyanomethylthio)-4-keto-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylic acid methyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CC3CCCO3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)C[C@H]3CCCO3

InChI

InChI=1S/C17H17N3O4S/c1-23-16(22)11-4-5-13-14(9-11)19-17(25-8-6-18)20(15(13)21)10-12-3-2-7-24-12/h4-5,9,12H,2-3,7-8,10H2,1H3/t12-/m1/s1