methyl (2S,4S)-2-azido-4-cyano-4-methyl-5-methylsulfanyl-5-oxidanylidene-pentanoate

Systemtic Name: methyl (2S,4S)-2-azido-4-cyano-4-methyl-5-methylsulfanyl-5-oxidanylidene-pentanoate Openeye Name: methyl (2S,4S)-2-azido-4-cyano-4-methyl-5-methylsulfanyl-5-oxo-pentanoate CAS Name: (2S,4S)-2-azido-4-cyano-4-methyl-5-(methylthio)-5-oxopentanoic acid methyl ester IUPAC Name: methyl (2S,4S)-2-azido-4-cyano-4-methyl-5-methylsulfanyl-5-oxopentanoate Traditional Name: (2S,4S)-2-azido-4-cyano-5-keto-4-methyl-5-(methylthio)valeric acid methyl ester Formula: C9H12N4O3S MolecularWeight: 256.28158

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)OC)N=[N+]=[N-])(C#N)C(=O)SC

Isomeric SMILES

C[C@](C[C@@H](C(=O)OC)N=[N+]=[N-])(C#N)C(=O)SC

InChI

InChI=1S/C9H12N4O3S/c1-9(5-10,8(15)17-3)4-6(12-13-11)7(14)16-2/h6H,4H2,1-3H3/t6-,9-/m0/s1