tert-butyl 4-[3-ethanoylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate

Systemtic Name: tert-butyl 4-[3-ethanoylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate Openeye Name: tert-butyl 4-[3-acetylsulfanyl-2-(tert-butoxycarbonylamino)propyl]benzoate CAS Name: 4-[3-(acetylthio)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-acetylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate Traditional Name: 4-[3-(acetylthio)-2-(tert-butoxycarbonylamino)propyl]benzoic acid tert-butyl ester Formula: C21H31NO5S MolecularWeight: 409.53954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=C(C=C1)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCC(CC1=CC=C(C=C1)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO5S/c1-14(23)28-13-17(22-19(25)27-21(5,6)7)12-15-8-10-16(11-9-15)18(24)26-20(2,3)4/h8-11,17H,12-13H2,1-7H3,(H,22,25)