[4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C22H16FN3O3S MolecularWeight: 421.444143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O3S/c1-28-19-12-14(13-24-26-22-25-17-4-2-3-5-20(17)30-22)6-11-18(19)29-21(27)15-7-9-16(23)10-8-15/h2-13H,1H3,(H,25,26)/b24-13+