(Q105324869)

English

(1R,3R,5S)-5-ethyl-1-oxo-1,4-thiazinane-3-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-carboxy-5-ethylthiomorpholin-1-ium-1-olate

1 reference

based on heuristic

inferred from SMILES

mass

191.061614276 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₇H₁₃NO₃S

0 references

canonical SMILES

O=C(O)C1NC(C[S+]([O-])C1)CC

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isomeric SMILES

CC[C@H]1C[S@@+]([O-])C[C@@H](C(=O)O)N1

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Identifiers

InChI

InChI=1S/C7H13NO3S/c1-2-5-3-12(11)4-6(8-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-,12+/m0/s1

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InChIKey

XCBKICIMDNQTSY-AWXIBCPOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XCBKICIMDNQTSY-AWXIBCPOSA-N

(Q105324869)

(1R,3R,5S)-5-ethyl-1-oxo-1,4-thiazinane-3-carboxylic acid

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Identifiers

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