N-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl]-2-(2-phenethyloxyethylsulfonylamino)ethanamide

Systemtic Name: N-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl]-2-(2-phenethyloxyethylsulfonylamino)ethanamide Openeye Name: N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-2-(2-phenethyloxyethylsulfonylamino)acetamide CAS Name: N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-2-(2-phenethyloxyethylsulfonylamino)acetamide IUPAC Name: N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-2-(2-phenethyloxyethylsulfonylamino)acetamide Traditional Name: N-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethyl]-2-(2-phenethyloxyethylsulfonylamino)acetamide Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCS(=O)(=O)NCC(=O)NCCC2=C3C(=C(C=C2)O)NC(=O)S3

Isomeric SMILES

C1=CC=C(C=C1)CCOCCS(=O)(=O)NCC(=O)NCCC2=C3C(=C(C=C2)O)NC(=O)S3

InChI

InChI=1S/C21H25N3O6S2/c25-17-7-6-16(20-19(17)24-21(27)31-20)8-10-22-18(26)14-23-32(28,29)13-12-30-11-9-15-4-2-1-3-5-15/h1-7,23,25H,8-14H2,(H,22,26)(H,24,27)