6-[(2-methylsulfanylphenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(2-methylsulfanylphenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(2-methylsulfanylanilino)-6-oxo-hexanoic acid CAS Name: 6-[2-(methylthio)anilino]-6-oxohexanoic acid IUPAC Name: 6-(2-methylsulfanylanilino)-6-oxohexanoic acid Traditional Name: 6-keto-6-[2-(methylthio)anilino]hexanoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCCCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCCCC(=O)O

InChI

InChI=1S/C13H17NO3S/c1-18-11-7-3-2-6-10(11)14-12(15)8-4-5-9-13(16)17/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)(H,16,17)