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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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