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

Systemtic Name: tert-butyl 2-[4-[3-ethanoylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]ethanoate Openeye Name: tert-butyl 2-[4-[3-acetylsulfanyl-2-(tert-butoxycarbonylamino)propyl]phenyl]acetate CAS Name: 2-[4-[3-(acetylthio)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]phenyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[3-acetylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetate Traditional Name: 2-[4-[3-(acetylthio)-2-(tert-butoxycarbonylamino)propyl]phenyl]acetic acid tert-butyl ester Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO5S/c1-15(24)29-14-18(23-20(26)28-22(5,6)7)12-16-8-10-17(11-9-16)13-19(25)27-21(2,3)4/h8-11,18H,12-14H2,1-7H3,(H,23,26)