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

Systemtic Name: phenacyl 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexanoate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H22N2O5S/c24-18(16-9-3-1-4-10-16)15-28-20(25)13-5-2-8-14-22-21-17-11-6-7-12-19(17)29(26,27)23-21/h1,3-4,6-7,9-12H,2,5,8,13-15H2,(H,22,23)