benzotriazol-1-yl (2S)-1-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: benzotriazol-1-yl (2S)-1-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: benzotriazol-1-yl (2S)-1-[(2S)-3-acetylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl (2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-3-(acetylthio)-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid benzotriazol-1-yl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)ON2C3=CC=CC=C3N=N2

Isomeric SMILES

C[C@H](CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)ON2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H20N4O4S/c1-11(10-26-12(2)22)16(23)20-9-5-8-15(20)17(24)25-21-14-7-4-3-6-13(14)18-19-21/h3-4,6-7,11,15H,5,8-10H2,1-2H3/t11-,15+/m1/s1