2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]-2-methoxy-phenoxy]acetate CAS Name: 2-[4-[(E)-2-(2-benzo[e][1,3]benzothiazolyl)ethenyl]-2-methoxyphenoxy]acetate IUPAC Name: 2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2-methoxyphenoxy]acetate Traditional Name: 2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]-2-methoxy-phenoxy]acetate Formula: C22H16NO4S- MolecularWeight: 390.43174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=C(S2)C=CC4=CC=CC=C43)OCC(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=C(S2)C=CC4=CC=CC=C43)OCC(=O)[O-]

InChI

InChI=1S/C22H17NO4S/c1-26-18-12-14(6-9-17(18)27-13-21(24)25)7-11-20-23-22-16-5-3-2-4-15(16)8-10-19(22)28-20/h2-12H,13H2,1H3,(H,24,25)/p-1/b11-7+