(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoate CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoate Traditional Name: 6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]hexanoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H23N3O5S/c22-20(26)19(15-9-3-1-4-10-15)29-18(25)13-5-2-8-14-23-21-16-11-6-7-12-17(16)30(27,28)24-21/h1,3-4,6-7,9-12,19H,2,5,8,13-14H2,(H2,22,26)(H,23,24)