(E)-5-(1,3-benzothiazol-2-yl)-6-(3-ethoxy-2-methoxy-phenyl)hex-5-enoate

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-ethoxy-2-methoxy-phenyl)hex-5-enoate Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-ethoxy-2-methoxy-phenyl)hex-5-enoate CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-ethoxy-2-methoxyphenyl)-5-hexenoate IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-ethoxy-2-methoxyphenyl)hex-5-enoate Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-ethoxy-2-methoxy-phenyl)hex-5-enoate Formula: C22H22NO4S- MolecularWeight: 396.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC)C=C(CCCC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC=CC(=C1OC)/C=C(\CCCC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H23NO4S/c1-3-27-18-11-6-8-15(21(18)26-2)14-16(9-7-13-20(24)25)22-23-17-10-4-5-12-19(17)28-22/h4-6,8,10-12,14H,3,7,9,13H2,1-2H3,(H,24,25)/p-1/b16-14+