tert-butyl (E,2S,3R)-6-ethylsulfanyl-2-(methanethioylamino)-5-methyl-3-oxidanyl-hex-4-enoate

Systemtic Name: tert-butyl (E,2S,3R)-6-ethylsulfanyl-2-(methanethioylamino)-5-methyl-3-oxidanyl-hex-4-enoate Openeye Name: tert-butyl (E,2S,3R)-6-ethylsulfanyl-3-hydroxy-2-(methanethioylamino)-5-methyl-hex-4-enoate CAS Name: (E,2S,3R)-6-(ethylthio)-3-hydroxy-2-(methanethioylamino)-5-methyl-4-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2S,3R)-6-ethylsulfanyl-3-hydroxy-2-(methanethioylamino)-5-methylhex-4-enoate Traditional Name: (E,2S,3R)-6-(ethylthio)-3-hydroxy-5-methyl-2-(thioformylamino)hex-4-enoic acid tert-butyl ester Formula: C14H25NO3S2 MolecularWeight: 319.4832

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(=CC(C(C(=O)OC(C)(C)C)NC=S)O)C

Isomeric SMILES

CCSC/C(=C/[C@H]([C@@H](C(=O)OC(C)(C)C)NC=S)O)/C

InChI

InChI=1S/C14H25NO3S2/c1-6-20-8-10(2)7-11(16)12(15-9-19)13(17)18-14(3,4)5/h7,9,11-12,16H,6,8H2,1-5H3,(H,15,19)/b10-7+/t11-,12+/m1/s1