S-[4-(tert-butylsulfamoyl)-2-(phenylmethoxycarbonylamino)butyl] ethanethioate

Systemtic Name: S-[4-(tert-butylsulfamoyl)-2-(phenylmethoxycarbonylamino)butyl] ethanethioate Openeye Name: S-[2-(benzyloxycarbonylamino)-4-(tert-butylsulfamoyl)butyl] ethanethioate CAS Name: ethanethioic acid S-[4-(tert-butylsulfamoyl)-2-(phenylmethoxycarbonylamino)butyl] ester IUPAC Name: S-[4-(tert-butylsulfamoyl)-2-(phenylmethoxycarbonylamino)butyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(benzyloxycarbonylamino)-4-(tert-butylsulfamoyl)butyl] ester Formula: C18H28N2O5S2 MolecularWeight: 416.55532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCS(=O)(=O)NC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCC(CCS(=O)(=O)NC(C)(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H28N2O5S2/c1-14(21)26-13-16(10-11-27(23,24)20-18(2,3)4)19-17(22)25-12-15-8-6-5-7-9-15/h5-9,16,20H,10-13H2,1-4H3,(H,19,22)