[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C24H15FN2O3S MolecularWeight: 430.450903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H15FN2O3S/c1-29-21-13-15(6-11-20(21)30-24(28)16-7-9-18(25)10-8-16)12-17(14-26)23-27-19-4-2-3-5-22(19)31-23/h2-13H,1H3/b17-12+