4-methyl-5-(2-methylpropylcarbamoyl)-2-(octylcarbamoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-5-(2-methylpropylcarbamoyl)-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-(isobutylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 4-methyl-5-[(2-methylpropylamino)-oxomethyl]-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-5-(2-methylpropylcarbamoyl)-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-(isobutylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C20H33N3O4S MolecularWeight: 411.55872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O4S/c1-5-6-7-8-9-10-11-21-20(27)23-18-15(19(25)26)14(4)16(28-18)17(24)22-12-13(2)3/h13H,5-12H2,1-4H3,(H,22,24)(H,25,26)(H2,21,23,27)