methyl 4-methyl-3-[2-(3-phenylsulfanylpropanoyloxy)ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(3-phenylsulfanylpropanoyloxy)ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[1-oxo-3-(phenylthio)propoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[3-(phenylthio)propanoyloxy]acetyl]amino]benzoic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C20H21NO5S/c1-14-8-9-15(20(24)25-2)12-17(14)21-18(22)13-26-19(23)10-11-27-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,22)