2-(decylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylic acid

Systemtic Name: 2-(decylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylic acid Openeye Name: 2-(decylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylic acid CAS Name: 2-[[(decylamino)-oxomethyl]amino]-4-methyl-5-[(octylamino)-oxomethyl]-3-thiophenecarboxylic acid IUPAC Name: 2-(decylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylic acid Traditional Name: 2-(decylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)-3-thenoic acid Formula: C26H45N3O4S MolecularWeight: 495.7182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCCCCCC)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCCCCCC)C)C(=O)O

InChI

InChI=1S/C26H45N3O4S/c1-4-6-8-10-12-13-15-17-19-28-26(33)29-24-21(25(31)32)20(3)22(34-24)23(30)27-18-16-14-11-9-7-5-2/h4-19H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)