4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]benzoic acid Openeye Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]benzoic acid CAS Name: 4-[(E)-2-(2-benzo[e][1,3]benzothiazolyl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]benzoic acid Traditional Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]benzoic acid Formula: C20H13NO2S MolecularWeight: 331.38772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)C=CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)/C=C/C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H13NO2S/c22-20(23)15-8-5-13(6-9-15)7-12-18-21-19-16-4-2-1-3-14(16)10-11-17(19)24-18/h1-12H,(H,22,23)/b12-7+