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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromanyl-6-ethoxy-phenoxy]ethanoate Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-ethoxy-phenoxy]acetate CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-ethoxyphenoxy]acetate IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-ethoxyphenoxy]acetate Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-ethoxy-phenoxy]acetate Formula: C17H13BrNO4S- MolecularWeight: 407.25842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2=NC3=CC=CC=C3S2)Br)OCC(=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2=NC3=CC=CC=C3S2)Br)OCC(=O)[O-]

InChI

InChI=1S/C17H14BrNO4S/c1-2-22-13-8-10(7-11(18)16(13)23-9-15(20)21)17-19-12-5-3-4-6-14(12)24-17/h3-8H,2,9H2,1H3,(H,20,21)/p-1