2-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[2-(methylthio)anilino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-[2-(methylthio)anilino]ethyl]thio]acetic acid Formula: C11H13NO3S2 MolecularWeight: 271.35582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CSCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CSCC(=O)O

InChI

InChI=1S/C11H13NO3S2/c1-16-9-5-3-2-4-8(9)12-10(13)6-17-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)