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ethyl (3S)-3-(1,3-benzothiazol-5-yl)-3-oxidanyl-propanoate

ethyl (3S)-3-(1,3-benzothiazol-5-yl)-3-oxidanyl-propanoate

Systemtic Name:ethyl (3S)-3-(1,3-benzothiazol-5-yl)-3-oxidanyl-propanoate
Openeye Name:ethyl (3S)-3-(1,3-benzothiazol-5-yl)-3-hydroxy-propanoate
CAS Name:(3S)-3-(1,3-benzothiazol-5-yl)-3-hydroxypropanoic acid ethyl ester
IUPAC Name:ethyl (3S)-3-(1,3-benzothiazol-5-yl)-3-hydroxypropanoate
Traditional Name:(3S)-3-(1,3-benzothiazol-5-yl)-3-hydroxy-propionic acid ethyl ester
Formula: C12H13NO3S
MolecularWeight: 251.30152
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC2=C(C=C1)SC=N2)O


Isomeric SMILES

CCOC(=O)C[C@@H](C1=CC2=C(C=C1)SC=N2)O


InChI

InChI=1S/C12H13NO3S/c1-2-16-12(15)6-10(14)8-3-4-11-9(5-8)13-7-17-11/h3-5,7,10,14H,2,6H2,1H3/t10-/m0/s1


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