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

Systemtic Name: butyl 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-2-3-13-23-16(20)11-5-4-8-12-18-17-14-9-6-7-10-15(14)24(21,22)19-17/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,18,19)