methyl 2-(1,3-benzoxazol-2-yl)-2-methyl-3-sulfanyl-propanoate

Systemtic Name: methyl 2-(1,3-benzoxazol-2-yl)-2-methyl-3-sulfanyl-propanoate Openeye Name: methyl 2-(1,3-benzoxazol-2-yl)-2-methyl-3-sulfanyl-propanoate CAS Name: 2-(1,3-benzoxazol-2-yl)-3-mercapto-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzoxazol-2-yl)-2-methyl-3-sulfanylpropanoate Traditional Name: 2-(1,3-benzoxazol-2-yl)-3-mercapto-2-methyl-propionic acid methyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)(C1=NC2=CC=CC=C2O1)C(=O)OC

Isomeric SMILES

CC(CS)(C1=NC2=CC=CC=C2O1)C(=O)OC

InChI

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