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

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methylphenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(p-tolyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methylphenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methylphenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(p-tolyl)hex-5-enoic acid Formula: C20H19NO2S MolecularWeight: 337.43536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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