methyl 4-[[(5-bromanyl-1,3-benzothiazol-2-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(5-bromanyl-1,3-benzothiazol-2-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(5-bromo-1,3-benzothiazol-2-yl)amino]methyl]benzoate CAS Name: 4-[[(5-bromo-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5-bromo-1,3-benzothiazol-2-yl)amino]methyl]benzoate Traditional Name: 4-[[(5-bromo-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid methyl ester Formula: C16H13BrN2O2S MolecularWeight: 377.25562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=NC3=C(S2)C=CC(=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=NC3=C(S2)C=CC(=C3)Br

InChI

InChI=1S/C16H13BrN2O2S/c1-21-15(20)11-4-2-10(3-5-11)9-18-16-19-13-8-12(17)6-7-14(13)22-16/h2-8H,9H2,1H3,(H,18,19)