(Z)-3-(1,3-benzothiazol-2-yl)-4-[2-(cyanomethoxy)phenyl]but-3-enoate

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-[2-(cyanomethoxy)phenyl]but-3-enoate Openeye Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-[2-(cyanomethoxy)phenyl]but-3-enoate CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-[2-(cyanomethoxy)phenyl]-3-butenoate IUPAC Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-[2-(cyanomethoxy)phenyl]but-3-enoate Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-[2-(cyanomethoxy)phenyl]but-3-enoate Formula: C19H13N2O3S- MolecularWeight: 349.38312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O3S/c20-9-10-24-16-7-3-1-5-13(16)11-14(12-18(22)23)19-21-15-6-2-4-8-17(15)25-19/h1-8,11H,10,12H2,(H,22,23)/p-1/b14-11-