2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-cyanophenyl)ethenyl]sulfanylethanoate

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-cyanophenyl)ethenyl]sulfanylethanoate Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-cyanophenyl)vinyl]sulfanylacetate CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-cyanophenyl)ethenyl]thio]acetate IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-cyanophenyl)ethenyl]sulfanylacetate Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-cyanophenyl)vinyl]thio]acetate Formula: C18H11N2O2S2- MolecularWeight: 351.42214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=CC(=C3)C#N)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=CC(=C3)C#N)/SCC(=O)[O-]

InChI

InChI=1S/C18H12N2O2S2/c19-10-13-5-3-4-12(8-13)9-16(23-11-17(21)22)18-20-14-6-1-2-7-15(14)24-18/h1-9H,11H2,(H,21,22)/p-1/b16-9-