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(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoate

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoate

Systemtic Name:(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoate
Openeye Name:(2S)-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]propanoate
CAS Name:(2S)-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]propanoate
IUPAC Name:(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoate
Traditional Name:(2S)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]propionate
Formula: C9H12NO3S-
MolecularWeight: 214.26148
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC(C)C(=O)[O-]


Isomeric SMILES

CC1=C(C(=NO1)C)CS[C@@H](C)C(=O)[O-]


InChI

InChI=1S/C9H13NO3S/c1-5-8(6(2)13-10-5)4-14-7(3)9(11)12/h7H,4H2,1-3H3,(H,11,12)/p-1/t7-/m0/s1


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