(2-benzamido-2-oxidanylidene-ethyl) 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2-benzamido-2-oxo-ethyl) 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (2-benzamido-2-keto-ethyl) ester Formula: C20H19NO5S MolecularWeight: 385.43356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H19NO5S/c1-27-16-9-7-14(8-10-16)17(22)11-12-19(24)26-13-18(23)21-20(25)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,23,25)