4-azanyl-4-oxidanylidene-2-(phenoxathiin-2-ylsulfonylamino)butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-(phenoxathiin-2-ylsulfonylamino)butanoic acid Openeye Name: 4-amino-4-oxo-2-(phenoxathiin-2-ylsulfonylamino)butanoic acid CAS Name: 4-amino-4-oxo-2-(2-phenoxathiinylsulfonylamino)butanoic acid IUPAC Name: 4-amino-4-oxo-2-(phenoxathiin-2-ylsulfonylamino)butanoic acid Traditional Name: 4-amino-4-keto-2-(phenoxathiin-2-ylsulfonylamino)butyric acid Formula: C16H14N2O6S2 MolecularWeight: 394.42216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)S(=O)(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)S(=O)(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C16H14N2O6S2/c17-15(19)8-10(16(20)21)18-26(22,23)9-5-6-12-14(7-9)25-13-4-2-1-3-11(13)24-12/h1-7,10,18H,8H2,(H2,17,19)(H,20,21)