6-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3H-2-benzofuran-1-one

Systemtic Name: 6-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3H-2-benzofuran-1-one Openeye Name: 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3H-isobenzofuran-1-one CAS Name: 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3H-isobenzofuran-1-one IUPAC Name: 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3H-2-benzofuran-1-one Traditional Name: 6-amino-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; phthalide Formula: C16H18N2O5S MolecularWeight: 350.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)N)C(=O)O)C.C1C2=CC=CC=C2C(=O)O1

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)N)C(=O)O)C.C1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C8H12N2O3S.C8H6O2/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8;9-8-7-4-2-1-3-6(7)5-10-8/h3-4,6H,9H2,1-2H3,(H,12,13);1-4H,5H2