[2-(diethylamino)-1,3-benzothiazol-6-yl] 4-bromanylbenzoate

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-bromanylbenzoate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C18H17BrN2O2S MolecularWeight: 405.30878

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN2O2S/c1-3-21(4-2)18-20-15-10-9-14(11-16(15)24-18)23-17(22)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3