[1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-ethylsulfanylbenzoate

Systemtic Name: [1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-ethylsulfanylbenzoate Openeye Name: [1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OC(C)C(=O)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OC(C)C(=O)C2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C22H25NO4S/c1-5-28-19-9-7-6-8-18(19)22(26)27-15(4)20(24)16-10-12-17(13-11-16)23-21(25)14(2)3/h6-15H,5H2,1-4H3,(H,23,25)