2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-hexoxyphenyl)ethenyl]sulfanylethanoic acid

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-hexoxyphenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-hexoxyphenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-hexoxyphenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-hexoxyphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-hexoxyphenyl)vinyl]thio]acetic acid Formula: C23H25NO3S2 MolecularWeight: 427.5795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)O

InChI

InChI=1S/C23H25NO3S2/c1-2-3-4-7-14-27-18-12-10-17(11-13-18)15-21(28-16-22(25)26)23-24-19-8-5-6-9-20(19)29-23/h5-6,8-13,15H,2-4,7,14,16H2,1H3,(H,25,26)/b21-15-