[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]propionic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C20H21FN2O6S2 MolecularWeight: 468.518943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC(=C(C=C1)SC)NC(=O)C)NS(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC(=C(C=C1)SC)NC(=O)C)NS(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C20H21FN2O6S2/c1-12(23-31(27,28)19-7-5-4-6-15(19)21)20(26)29-11-17(25)14-8-9-18(30-3)16(10-14)22-13(2)24/h4-10,12,23H,11H2,1-3H3,(H,22,24)/t12-/m0/s1