(2R)-4-(3-methylsulfanylpropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: (2R)-4-(3-methylsulfanylpropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: (2R)-4-(3-methylsulfanylpropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[3-(methylthio)-1-oxopropyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate IUPAC Name: (2R)-4-(3-methylsulfanylpropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-[3-(methylthio)propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Formula: C13H14NO4S- MolecularWeight: 280.31956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CC(OC2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

CSCCC(=O)N1C[C@@H](OC2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C13H15NO4S/c1-19-7-6-12(15)14-8-11(13(16)17)18-10-5-3-2-4-9(10)14/h2-5,11H,6-8H2,1H3,(H,16,17)/p-1/t11-/m1/s1