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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(cyanomethoxy)-3-methoxy-phenyl]pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(cyanomethoxy)-3-methoxy-phenyl]pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(cyanomethoxy)-3-methoxyphenyl]-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(cyanomethoxy)-3-methoxyphenyl]pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(cyanomethoxy)-3-methoxy-phenyl]pent-4-enoate Formula: C21H17N2O4S- MolecularWeight: 393.43568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2)OCC#N

InChI

InChI=1S/C21H18N2O4S/c1-26-18-13-14(6-8-17(18)27-11-10-22)12-15(7-9-20(24)25)21-23-16-4-2-3-5-19(16)28-21/h2-6,8,12-13H,7,9,11H2,1H3,(H,24,25)/p-1/b15-12+