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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]ethyl 2-bromanylbenzoate Openeye Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl ester IUPAC Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 2-(N-(1,1-diketo-1,2-benzothiazol-3-yl)anilino)ethyl ester Formula: C22H17BrN2O4S MolecularWeight: 485.35038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCOC(=O)C2=CC=CC=C2Br)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)N(CCOC(=O)C2=CC=CC=C2Br)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H17BrN2O4S/c23-19-12-6-4-10-17(19)22(26)29-15-14-25(16-8-2-1-3-9-16)21-18-11-5-7-13-20(18)30(27,28)24-21/h1-13H,14-15H2