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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]propyl 2-bromanylbenzoate Openeye Name: 3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid 3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl ester IUPAC Name: 3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 3-(N-(1,1-diketo-1,2-benzothiazol-3-yl)anilino)propyl ester Formula: C23H19BrN2O4S MolecularWeight: 499.37696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O4S/c24-20-13-6-4-11-18(20)23(27)30-16-8-15-26(17-9-2-1-3-10-17)22-19-12-5-7-14-21(19)31(28,29)25-22/h1-7,9-14H,8,15-16H2