(2-bromophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (2-bromophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (2-bromophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (2-bromophenyl)methyl ester IUPAC Name: (2-bromophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (2-bromobenzyl) ester Formula: C17H14BrNO2S MolecularWeight: 376.26756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CCC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CCC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C17H14BrNO2S/c18-13-6-2-1-5-12(13)11-21-17(20)10-9-16-19-14-7-3-4-8-15(14)22-16/h1-8H,9-11H2