[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 4-(phenoxymethyl)benzoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 4-(phenoxymethyl)benzoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 4-(phenoxymethyl)benzoate CAS Name: 4-(phenoxymethyl)benzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate Traditional Name: 4-(phenoxymethyl)benzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C25H23NO5S MolecularWeight: 449.51882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3)SC

InChI

InChI=1S/C25H23NO5S/c1-17(27)26-22-14-20(12-13-24(22)32-2)23(28)16-31-25(29)19-10-8-18(9-11-19)15-30-21-6-4-3-5-7-21/h3-14H,15-16H2,1-2H3,(H,26,27)