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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=C(CCCC(=O)O)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C(\CCCC(=O)O)/C2=NC3=CC=CC=C3S2)OC

InChI

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