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

Systemtic Name: methyl 3-(1,3-benzoxazol-2-ylsulfanyl)butanoate Openeye Name: methyl 3-(1,3-benzoxazol-2-ylsulfanyl)butanoate CAS Name: 3-(1,3-benzoxazol-2-ylthio)butanoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzoxazol-2-ylsulfanyl)butanoate Traditional Name: 3-(1,3-benzoxazol-2-ylthio)butyric acid methyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)SC1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(CC(=O)OC)SC1=NC2=CC=CC=C2O1

InChI

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