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

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-cyanophenyl)hex-5-enoate Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-cyanophenyl)hex-5-enoate CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-cyanophenyl)-5-hexenoate IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-cyanophenyl)hex-5-enoate Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-cyanophenyl)hex-5-enoate Formula: C20H15N2O2S- MolecularWeight: 347.4103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)C#N)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(C=C3)C#N)/CCCC(=O)[O-]

InChI

InChI=1S/C20H16N2O2S/c21-13-15-10-8-14(9-11-15)12-16(4-3-7-19(23)24)20-22-17-5-1-2-6-18(17)25-20/h1-2,5-6,8-12H,3-4,7H2,(H,23,24)/p-1/b16-12+