[(E,1S,2R)-1-acetamido-1-tert-butylsulfanyl-5-oxidanylidene-pent-3-en-2-yl] ethanoate

Systemtic Name: [(E,1S,2R)-1-acetamido-1-tert-butylsulfanyl-5-oxidanylidene-pent-3-en-2-yl] ethanoate Openeye Name: [(E,1R)-1-[(S)-acetamido(tert-butylsulfanyl)methyl]-4-oxo-but-2-enyl] acetate CAS Name: acetic acid [(E,1S,2R)-1-acetamido-1-(tert-butylthio)-5-oxopent-3-en-2-yl] ester IUPAC Name: [(E,1S,2R)-1-acetamido-1-tert-butylsulfanyl-5-oxopent-3-en-2-yl] acetate Traditional Name: acetic acid [(E,1R)-1-[(S)-acetamido-(tert-butylthio)methyl]-4-keto-but-2-enyl] ester Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C=CC=O)OC(=O)C)SC(C)(C)C

Isomeric SMILES

CC(=O)N[C@H]([C@@H](/C=C/C=O)OC(=O)C)SC(C)(C)C

InChI

InChI=1S/C13H21NO4S/c1-9(16)14-12(19-13(3,4)5)11(7-6-8-15)18-10(2)17/h6-8,11-12H,1-5H3,(H,14,16)/b7-6+/t11-,12+/m1/s1