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

Systemtic Name: 5-(dodecylcarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid Openeye Name: 5-(dodecylcarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 5-[[(dodecylamino)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid IUPAC Name: 5-(dodecylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid Traditional Name: 5-(laurylcarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C20H32N2O5S MolecularWeight: 412.54348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)O

InChI

InChI=1S/C20H32N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-21-20(27)22-17-15(18(23)24)14(2)16(28-17)19(25)26/h3-13H2,1-2H3,(H,23,24)(H,25,26)(H2,21,22,27)