2-[4-(1,3-benzothiazol-2-yl)-2-bromanyl-6-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromanyl-6-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxy-phenoxy]acetate CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxyphenoxy]acetate IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxyphenoxy]acetate Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxy-phenoxy]acetate Formula: C16H11BrNO4S- MolecularWeight: 393.23184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=NC3=CC=CC=C3S2)Br)OCC(=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=NC3=CC=CC=C3S2)Br)OCC(=O)[O-]

InChI

InChI=1S/C16H12BrNO4S/c1-21-12-7-9(6-10(17)15(12)22-8-14(19)20)16-18-11-4-2-3-5-13(11)23-16/h2-7H,8H2,1H3,(H,19,20)/p-1