(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-butanoate

Systemtic Name: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-butanoate Openeye Name: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-butanoate CAS Name: (2R)-2-(1,3-benzoxazol-2-ylthio)-3-methylbutanoate IUPAC Name: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-methylbutanoate Traditional Name: (2R)-2-(1,3-benzoxazol-2-ylthio)-3-methyl-butyrate Formula: C12H12NO3S- MolecularWeight: 250.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])SC1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])SC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C12H13NO3S/c1-7(2)10(11(14)15)17-12-13-8-5-3-4-6-9(8)16-12/h3-7,10H,1-2H3,(H,14,15)/p-1/t10-/m1/s1