1,3-benzothiazol-2-ylmethyl 2-(4-bromanyl-2-chloranyl-phenoxy)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-bromanyl-2-chloranyl-phenoxy)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-bromo-2-chloro-phenoxy)acetate CAS Name: 2-(4-bromo-2-chlorophenoxy)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-bromo-2-chlorophenoxy)acetate Traditional Name: 2-(4-bromo-2-chloro-phenoxy)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H11BrClNO3S MolecularWeight: 412.68544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C16H11BrClNO3S/c17-10-5-6-13(11(18)7-10)21-9-16(20)22-8-15-19-12-3-1-2-4-14(12)23-15/h1-7H,8-9H2