(E)-5-(1,3-benzothiazol-2-yl)-6-(4-bromophenyl)hex-5-enoic acid

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-bromophenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-bromophenyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-bromophenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-bromophenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-bromophenyl)hex-5-enoic acid Formula: C19H16BrNO2S MolecularWeight: 402.30484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)Br)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(C=C3)Br)/CCCC(=O)O

InChI

InChI=1S/C19H16BrNO2S/c20-15-10-8-13(9-11-15)12-14(4-3-7-18(22)23)19-21-16-5-1-2-6-17(16)24-19/h1-2,5-6,8-12H,3-4,7H2,(H,22,23)/b14-12+