ethyl 3-[[3-ethanoylsulfanyl-2-(phenylmethyl)butanoyl]amino]benzoate

Systemtic Name: ethyl 3-[[3-ethanoylsulfanyl-2-(phenylmethyl)butanoyl]amino]benzoate Openeye Name: ethyl 3-[(3-acetylsulfanyl-2-benzyl-butanoyl)amino]benzoate CAS Name: 3-[[3-(acetylthio)-1-oxo-2-(phenylmethyl)butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-acetylsulfanyl-2-benzylbutanoyl)amino]benzoate Traditional Name: 3-[[3-(acetylthio)-2-benzyl-butanoyl]amino]benzoic acid ethyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)C(C)SC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)C(C)SC(=O)C

InChI

InChI=1S/C22H25NO4S/c1-4-27-22(26)18-11-8-12-19(14-18)23-21(25)20(15(2)28-16(3)24)13-17-9-6-5-7-10-17/h5-12,14-15,20H,4,13H2,1-3H3,(H,23,25)