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

Systemtic Name: S-[3-[4-(tert-butylcarbamoyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanethioate Openeye Name: S-[2-(tert-butoxycarbonylamino)-3-[4-(tert-butylcarbamoyl)phenyl]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[4-[(tert-butylamino)-oxomethyl]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: S-[3-[4-(tert-butylcarbamoyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(tert-butoxycarbonylamino)-3-[4-(tert-butylcarbamoyl)phenyl]propyl] ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S/c1-14(24)28-13-17(22-19(26)27-21(5,6)7)12-15-8-10-16(11-9-15)18(25)23-20(2,3)4/h8-11,17H,12-13H2,1-7H3,(H,22,26)(H,23,25)