2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)thio]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)thio]ethyl ester Formula: C16H13NO4S2 MolecularWeight: 347.40872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H13NO4S2/c18-16(12-6-2-1-3-7-12)21-10-11-22-15-13-8-4-5-9-14(13)23(19,20)17-15/h1-9H,10-11H2