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

Systemtic Name: 3-methyl-5-(octan-2-ylcarbamoylamino)thiophene-2,4-dicarboxylic acid Openeye Name: 3-methyl-5-(1-methylheptylcarbamoylamino)thiophene-2,4-dicarboxylic acid CAS Name: 3-methyl-5-[[(octan-2-ylamino)-oxomethyl]amino]thiophene-2,4-dicarboxylic acid IUPAC Name: 3-methyl-5-(octan-2-ylcarbamoylamino)thiophene-2,4-dicarboxylic acid Traditional Name: 3-methyl-5-(1-methylheptylcarbamoylamino)thiophene-2,4-dicarboxylic acid Formula: C16H24N2O5S MolecularWeight: 356.43716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)O

Isomeric SMILES

CCCCCCC(C)NC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)O

InChI

InChI=1S/C16H24N2O5S/c1-4-5-6-7-8-9(2)17-16(23)18-13-11(14(19)20)10(3)12(24-13)15(21)22/h9H,4-8H2,1-3H3,(H,19,20)(H,21,22)(H2,17,18,23)