(E)-5-(1,3-benzothiazol-2-yl)-6-(3,4,5-trimethoxyphenyl)hex-5-enoate

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3,4,5-trimethoxyphenyl)hex-5-enoate Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3,4,5-trimethoxyphenyl)hex-5-enoate CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3,4,5-trimethoxyphenyl)-5-hexenoate IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3,4,5-trimethoxyphenyl)hex-5-enoate Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3,4,5-trimethoxyphenyl)hex-5-enoate Formula: C22H22NO5S- MolecularWeight: 412.47878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(CCCC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\CCCC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H23NO5S/c1-26-17-12-14(13-18(27-2)21(17)28-3)11-15(7-6-10-20(24)25)22-23-16-8-4-5-9-19(16)29-22/h4-5,8-9,11-13H,6-7,10H2,1-3H3,(H,24,25)/p-1/b15-11+