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

Systemtic Name: methyl 2-(2-cyanoethylsulfanyl)-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Openeye Name: methyl 2-(2-cyanoethylsulfanyl)-4-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylate CAS Name: 2-(2-cyanoethylthio)-4-oxo-3-[[(2R)-2-oxolanyl]methyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-cyanoethylsulfanyl)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Traditional Name: 2-(2-cyanoethylthio)-4-keto-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-24-17(23)12-5-6-14-15(10-12)20-18(26-9-3-7-19)21(16(14)22)11-13-4-2-8-25-13/h5-6,10,13H,2-4,8-9,11H2,1H3/t13-/m1/s1