3-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-propanoic acid

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-propanoic acid Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-propanoic acid CAS Name: 3-(1,3-benzoxazol-2-ylthio)-2-methylpropanoic acid IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropanoic acid Traditional Name: 3-(1,3-benzoxazol-2-ylthio)-2-methyl-propionic acid Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=CC=CC=C2O1)C(=O)O

Isomeric SMILES

CC(CSC1=NC2=CC=CC=C2O1)C(=O)O

InChI

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