S-[3-[4-(tert-butylsulfamoyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanethioate

Systemtic Name: S-[3-[4-(tert-butylsulfamoyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanethioate Openeye Name: S-[2-(tert-butoxycarbonylamino)-3-[4-(tert-butylsulfamoyl)phenyl]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[4-(tert-butylsulfamoyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: S-[3-[4-(tert-butylsulfamoyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(tert-butoxycarbonylamino)-3-[4-(tert-butylsulfamoyl)phenyl]propyl] ester Formula: C20H32N2O5S2 MolecularWeight: 444.60848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O5S2/c1-14(23)28-13-16(21-18(24)27-20(5,6)7)12-15-8-10-17(11-9-15)29(25,26)22-19(2,3)4/h8-11,16,22H,12-13H2,1-7H3,(H,21,24)