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

Systemtic Name: methyl 2-(cyclohexylmethylsulfanyl)-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Openeye Name: methyl 2-(cyclohexylmethylsulfanyl)-4-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylate CAS Name: 2-(cyclohexylmethylthio)-4-oxo-3-[[(2R)-2-oxolanyl]methyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclohexylmethylsulfanyl)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Traditional Name: 2-(cyclohexylmethylthio)-4-keto-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3CCCCC3)CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3CCCCC3)C[C@H]4CCCO4

InChI

InChI=1S/C22H28N2O4S/c1-27-21(26)16-9-10-18-19(12-16)23-22(29-14-15-6-3-2-4-7-15)24(20(18)25)13-17-8-5-11-28-17/h9-10,12,15,17H,2-8,11,13-14H2,1H3/t17-/m1/s1