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

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2,3-dimethoxyphenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2,3-dimethoxyphenyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2,3-dimethoxyphenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2,3-dimethoxyphenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(2,3-dimethoxyphenyl)hex-5-enoic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=C(CCCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C(\CCCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO4S/c1-25-17-10-5-7-14(20(17)26-2)13-15(8-6-12-19(23)24)21-22-16-9-3-4-11-18(16)27-21/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,23,24)/b15-13+