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

Systemtic Name: (3-bromophenyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (3-bromophenyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (3-bromophenyl) ester Formula: C16H12BrNO2S MolecularWeight: 362.24098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H12BrNO2S/c17-11-4-3-5-12(10-11)20-16(19)9-8-15-18-13-6-1-2-7-14(13)21-15/h1-7,10H,8-9H2