[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 2-bromanylbenzoate Openeye Name: [2-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] ester Formula: C21H14BrN3O2S MolecularWeight: 452.32376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/NC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C21H14BrN3O2S/c22-16-9-3-2-8-15(16)20(26)27-18-11-5-1-7-14(18)13-23-25-21-24-17-10-4-6-12-19(17)28-21/h1-13H,(H,24,25)/b23-13+