(E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromanyl-2-methoxy-phenyl)hex-5-enoic acid

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromanyl-2-methoxy-phenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromo-2-methoxy-phenyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromo-2-methoxyphenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromo-2-methoxyphenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromo-2-methoxy-phenyl)hex-5-enoic acid Formula: C20H18BrNO3S MolecularWeight: 432.33082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C(CCCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C(\CCCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H18BrNO3S/c1-25-17-10-9-15(21)12-14(17)11-13(5-4-8-19(23)24)20-22-16-6-2-3-7-18(16)26-20/h2-3,6-7,9-12H,4-5,8H2,1H3,(H,23,24)/b13-11+