methyl (3S)-3-(1,3-benzothiazol-6-yl)-3-oxidanyl-propanoate

Systemtic Name: methyl (3S)-3-(1,3-benzothiazol-6-yl)-3-oxidanyl-propanoate Openeye Name: methyl (3S)-3-(1,3-benzothiazol-6-yl)-3-hydroxy-propanoate CAS Name: (3S)-3-(1,3-benzothiazol-6-yl)-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (3S)-3-(1,3-benzothiazol-6-yl)-3-hydroxypropanoate Traditional Name: (3S)-3-(1,3-benzothiazol-6-yl)-3-hydroxy-propionic acid methyl ester Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC2=C(C=C1)N=CS2)O

Isomeric SMILES

COC(=O)C[C@@H](C1=CC2=C(C=C1)N=CS2)O

InChI

InChI=1S/C11H11NO3S/c1-15-11(14)5-9(13)7-2-3-8-10(4-7)16-6-12-8/h2-4,6,9,13H,5H2,1H3/t9-/m0/s1