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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl benzoate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl benzoate CAS Name: benzoic acid 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl ester IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl benzoate Traditional Name: benzoic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H16N2O4S/c20-17(13-7-2-1-3-8-13)23-12-6-11-18-16-14-9-4-5-10-15(14)24(21,22)19-16/h1-5,7-10H,6,11-12H2,(H,18,19)