[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(naphthalen-2-ylsulfonylamino)ethanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(naphthalen-2-ylsulfonylamino)ethanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(2-naphthylsulfonylamino)acetate CAS Name: 2-(2-naphthalenylsulfonylamino)acetic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-naphthylsulfonylamino)acetic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O5S2/c1-29-18-8-4-7-17(12-18)23-20(24)14-28-21(25)13-22-30(26,27)19-10-9-15-5-2-3-6-16(15)11-19/h2-12,22H,13-14H2,1H3,(H,23,24)