S-[2-[[(1S,2S)-2-(2-ethanoylsulfanylethanoylamino)cyclohexyl]amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[[(1S,2S)-2-(2-ethanoylsulfanylethanoylamino)cyclohexyl]amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[[(1S,2S)-2-[(2-acetylsulfanylacetyl)amino]cyclohexyl]amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[(1S,2S)-2-[[2-(acetylthio)-1-oxoethyl]amino]cyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[[(1S,2S)-2-[(2-acetylsulfanylacetyl)amino]cyclohexyl]amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[(1S,2S)-2-[[2-(acetylthio)acetyl]amino]cyclohexyl]amino]-2-keto-ethyl] ester Formula: C14H22N2O4S2 MolecularWeight: 346.46548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1CCCCC1NC(=O)CSC(=O)C

Isomeric SMILES

CC(=O)SCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)CSC(=O)C

InChI

InChI=1S/C14H22N2O4S2/c1-9(17)21-7-13(19)15-11-5-3-4-6-12(11)16-14(20)8-22-10(2)18/h11-12H,3-8H2,1-2H3,(H,15,19)(H,16,20)/t11-,12-/m0/s1