methyl 4-[2-ethanoylsulfanyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-ethanoylsulfanyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-acetylsulfanyl-1-(tert-butoxycarbonylamino)ethyl]benzoate CAS Name: 4-[2-(acetylthio)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-acetylsulfanyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate Traditional Name: 4-[2-(acetylthio)-1-(tert-butoxycarbonylamino)ethyl]benzoic acid methyl ester Formula: C17H23NO5S MolecularWeight: 353.43322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5S/c1-11(19)24-10-14(18-16(21)23-17(2,3)4)12-6-8-13(9-7-12)15(20)22-5/h6-9,14H,10H2,1-5H3,(H,18,21)