methyl 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]benzoate Openeye Name: methyl 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]benzoate CAS Name: 4-[(E)-2-(2-benzo[e][1,3]benzothiazolyl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]benzoate Traditional Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]benzoic acid methyl ester Formula: C21H15NO2S MolecularWeight: 345.4143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C21H15NO2S/c1-24-21(23)16-9-6-14(7-10-16)8-13-19-22-20-17-5-3-2-4-15(17)11-12-18(20)25-19/h2-13H,1H3/b13-8+