methyl (E,4S)-4-azido-5-ethanoylsulfanyl-2-methyl-pent-2-enoate

Systemtic Name: methyl (E,4S)-4-azido-5-ethanoylsulfanyl-2-methyl-pent-2-enoate Openeye Name: methyl (E,4S)-5-acetylsulfanyl-4-azido-2-methyl-pent-2-enoate CAS Name: (E,4S)-5-(acetylthio)-4-azido-2-methyl-2-pentenoic acid methyl ester IUPAC Name: methyl (E,4S)-5-acetylsulfanyl-4-azido-2-methylpent-2-enoate Traditional Name: (E,4S)-5-(acetylthio)-4-azido-2-methyl-pent-2-enoic acid methyl ester Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\[C@@H](CSC(=O)C)N=[N+]=[N-])/C(=O)OC

InChI

InChI=1S/C9H13N3O3S/c1-6(9(14)15-3)4-8(11-12-10)5-16-7(2)13/h4,8H,5H2,1-3H3/b6-4+/t8-/m0/s1