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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (2-amino-2-keto-ethyl) ester Formula: C13H15NO4S MolecularWeight: 281.3275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N

InChI

InChI=1S/C13H15NO4S/c1-19-10-4-2-9(3-5-10)11(15)6-7-13(17)18-8-12(14)16/h2-5H,6-8H2,1H3,(H2,14,16)