2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-oxazole-4-carboxylic acid

Systemtic Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-oxazole-4-carboxylic acid Openeye Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]oxazole-4-carboxylic acid CAS Name: 2-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-4-oxazolecarboxylic acid IUPAC Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-oxazole-4-carboxylic acid Traditional Name: 2-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]oxazole-4-carboxylic acid Formula: C13H10N2O4S MolecularWeight: 290.2945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)SCC3=NC(=CO3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SCC3=NC(=CO3)C(=O)O

InChI

InChI=1S/C13H10N2O4S/c1-7-2-3-10-8(4-7)15-13(19-10)20-6-11-14-9(5-18-11)12(16)17/h2-5H,6H2,1H3,(H,16,17)