(2S)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propanoic acid

Systemtic Name: (2S)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propanoic acid Openeye Name: (2S)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxy-propanoic acid CAS Name: (2S)-3-(1,3-benzothiazol-2-ylthio)-2-hydroxypropanoic acid IUPAC Name: (2S)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxypropanoic acid Traditional Name: (2S)-3-(1,3-benzothiazol-2-ylthio)-2-hydroxy-propionic acid Formula: C10H9NO3S2 MolecularWeight: 255.31336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC[C@H](C(=O)O)O

InChI

InChI=1S/C10H9NO3S2/c12-7(9(13)14)5-15-10-11-6-3-1-2-4-8(6)16-10/h1-4,7,12H,5H2,(H,13,14)/t7-/m1/s1