3-methyl-5-(2-methylpropoxycarbonylamino)thiophene-2,4-dicarboxylic acid

Systemtic Name: 3-methyl-5-(2-methylpropoxycarbonylamino)thiophene-2,4-dicarboxylic acid Openeye Name: 5-(isobutoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 3-methyl-5-[[2-methylpropoxy(oxo)methyl]amino]thiophene-2,4-dicarboxylic acid IUPAC Name: 3-methyl-5-(2-methylpropoxycarbonylamino)thiophene-2,4-dicarboxylic acid Traditional Name: 5-(isobutoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C12H15NO6S MolecularWeight: 301.3156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)OCC(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)OCC(C)C)C(=O)O

InChI

InChI=1S/C12H15NO6S/c1-5(2)4-19-12(18)13-9-7(10(14)15)6(3)8(20-9)11(16)17/h5H,4H2,1-3H3,(H,13,18)(H,14,15)(H,16,17)