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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromanyl-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxy-phenoxy]acetic acid CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxyphenoxy]acetic acid Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxy-phenoxy]acetic acid Formula: C16H12BrNO4S MolecularWeight: 394.23978

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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)