5-heptyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-heptyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-heptyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 5-heptyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-heptyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-heptyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C21H36N2O3S MolecularWeight: 396.58714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O3S/c1-3-5-7-9-11-13-15-22-21(26)23-19-18(20(24)25)16-17(27-19)14-12-10-8-6-4-2/h16H,3-15H2,1-2H3,(H,24,25)(H2,22,23,26)