5-[[(2-methylsulfanylphenyl)amino]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(2-methylsulfanylphenyl)amino]methyl]furan-2-carboxylate Openeye Name: 5-[(2-methylsulfanylanilino)methyl]furan-2-carboxylate CAS Name: 5-[[2-(methylthio)anilino]methyl]-2-furancarboxylate IUPAC Name: 5-[(2-methylsulfanylanilino)methyl]furan-2-carboxylate Traditional Name: 5-[[2-(methylthio)anilino]methyl]-2-furoate Formula: C13H12NO3S- MolecularWeight: 262.30428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NCC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C13H13NO3S/c1-18-12-5-3-2-4-10(12)14-8-9-6-7-11(17-9)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)/p-1