(E)-4-(1,3-benzothiazol-2-yl)-5-[2-(cyanomethoxy)phenyl]pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[2-(cyanomethoxy)phenyl]pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[2-(cyanomethoxy)phenyl]pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[2-(cyanomethoxy)phenyl]-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[2-(cyanomethoxy)phenyl]pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[2-(cyanomethoxy)phenyl]pent-4-enoate Formula: C20H15N2O3S- MolecularWeight: 363.4097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)OCC#N

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2)OCC#N

InChI

InChI=1S/C20H16N2O3S/c21-11-12-25-17-7-3-1-5-14(17)13-15(9-10-19(23)24)20-22-16-6-2-4-8-18(16)26-20/h1-8,13H,9-10,12H2,(H,23,24)/p-1/b15-13+