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

Systemtic Name: 2-[4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-bromanyl-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-bromo-6-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-bromo-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-bromo-6-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-bromo-6-methoxy-phenoxy]acetic acid Formula: C17H14BrN3O4S MolecularWeight: 436.27976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)Br)OCC(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC2=NC3=CC=CC=C3S2)Br)OCC(=O)O

InChI

InChI=1S/C17H14BrN3O4S/c1-24-13-7-10(6-11(18)16(13)25-9-15(22)23)8-19-21-17-20-12-4-2-3-5-14(12)26-17/h2-8H,9H2,1H3,(H,20,21)(H,22,23)/b19-8+