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

Systemtic Name: 5-(hexadecylcarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid Openeye Name: 5-(hexadecylcarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 5-[[(hexadecylamino)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid IUPAC Name: 5-(hexadecylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid Traditional Name: 5-(cetylcarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C24H40N2O5S MolecularWeight: 468.6498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)O

InChI

InChI=1S/C24H40N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-24(31)26-21-19(22(27)28)18(2)20(32-21)23(29)30/h3-17H2,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)