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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]sulfanyl]ethyl 2-bromanylbenzoate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]ethyl 2-bromobenzoate CAS Name: 2-bromobenzoic 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 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)thio]ethyl ester Formula: C16H12BrNO4S2 MolecularWeight: 426.30478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)SCCOC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)SCCOC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C16H12BrNO4S2/c17-13-7-3-1-5-11(13)16(19)22-9-10-23-15-12-6-2-4-8-14(12)24(20,21)18-15/h1-8H,9-10H2