3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]propanoate

Systemtic Name: 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]propanoate Openeye Name: 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]propanoate CAS Name: 3-[(5-methyl-1,3-benzoxazol-2-yl)thio]propanoate IUPAC Name: 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]propanoate Traditional Name: 3-[(5-methyl-1,3-benzoxazol-2-yl)thio]propionate Formula: C11H10NO3S- MolecularWeight: 236.267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)SCCC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SCCC(=O)[O-]

InChI

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