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

Systemtic Name: propyl 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCCCCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CCCOC(=O)CCCCCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H22N2O4S/c1-2-12-22-15(19)10-4-3-7-11-17-16-13-8-5-6-9-14(13)23(20,21)18-16/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,17,18)