(E)-5-(1,3-benzothiazol-2-yl)-6-(3-chloranyl-4,5-dimethoxy-phenyl)hex-5-enoate

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-chloranyl-4,5-dimethoxy-phenyl)hex-5-enoate Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-chloro-4,5-dimethoxy-phenyl)hex-5-enoate CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-chloro-4,5-dimethoxyphenyl)-5-hexenoate IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-chloro-4,5-dimethoxyphenyl)hex-5-enoate Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-chloro-4,5-dimethoxy-phenyl)hex-5-enoate Formula: C21H19ClNO4S- MolecularWeight: 416.89786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(CCCC(=O)[O-])C2=NC3=CC=CC=C3S2)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\CCCC(=O)[O-])/C2=NC3=CC=CC=C3S2)Cl)OC

InChI

InChI=1S/C21H20ClNO4S/c1-26-17-12-13(11-15(22)20(17)27-2)10-14(6-5-9-19(24)25)21-23-16-7-3-4-8-18(16)28-21/h3-4,7-8,10-12H,5-6,9H2,1-2H3,(H,24,25)/p-1/b14-10+