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

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2-chlorophenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2-chlorophenyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2-chlorophenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2-chlorophenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2-chlorophenyl)hex-5-enoic acid Formula: C19H16ClNO2S MolecularWeight: 357.85384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(CCCC(=O)O)C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO2S/c20-15-8-2-1-6-13(15)12-14(7-5-11-18(22)23)19-21-16-9-3-4-10-17(16)24-19/h1-4,6,8-10,12H,5,7,11H2,(H,22,23)/b14-12+