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

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2-methylphenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(o-tolyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2-methylphenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2-methylphenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(o-tolyl)hex-5-enoic acid Formula: C20H19NO2S MolecularWeight: 337.43536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(CCCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1/C=C(\CCCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO2S/c1-14-7-2-3-8-15(14)13-16(9-6-12-19(22)23)20-21-17-10-4-5-11-18(17)24-20/h2-5,7-8,10-11,13H,6,9,12H2,1H3,(H,22,23)/b16-13+