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

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-propan-2-ylphenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-isopropylphenyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-propan-2-ylphenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-propan-2-ylphenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-p-cumenyl-hex-5-enoic acid Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO2S/c1-15(2)17-12-10-16(11-13-17)14-18(6-5-9-21(24)25)22-23-19-7-3-4-8-20(19)26-22/h3-4,7-8,10-15H,5-6,9H2,1-2H3,(H,24,25)/b18-14+