methyl 4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]-2-phenacylsulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]-2-phenacylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxylate CAS Name: 3-[(2R)-2-hydroxypropyl]-4-oxo-2-(phenacylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-phenacylsulfanylquinazoline-7-carboxylate Traditional Name: 3-[(2R)-2-hydroxypropyl]-4-keto-2-(phenacylthio)quinazoline-7-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H20N2O5S/c1-13(24)11-23-19(26)16-9-8-15(20(27)28-2)10-17(16)22-21(23)29-12-18(25)14-6-4-3-5-7-14/h3-10,13,24H,11-12H2,1-2H3/t13-/m1/s1