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

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-ethylphenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-ethylphenyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-ethylphenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-ethylphenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-ethylphenyl)hex-5-enoic acid Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C(CCCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C(\CCCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO2S/c1-2-15-10-12-16(13-11-15)14-17(6-5-9-20(23)24)21-22-18-7-3-4-8-19(18)25-21/h3-4,7-8,10-14H,2,5-6,9H2,1H3,(H,23,24)/b17-14+