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

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-[4-(methylthio)phenyl]ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-[4-(methylthio)phenyl]vinyl]thio]acetic acid Formula: C18H15NO2S3 MolecularWeight: 373.5122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)O

InChI

InChI=1S/C18H15NO2S3/c1-22-13-8-6-12(7-9-13)10-16(23-11-17(20)21)18-19-14-4-2-3-5-15(14)24-18/h2-10H,11H2,1H3,(H,20,21)/b16-10-