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

Systemtic Name: 5-(furan-2-ylmethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-(2-furylmethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 5-[(2-furanylmethylamino)-oxomethyl]-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-(furan-2-ylmethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-(2-furfurylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CC=CO2)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CC=CO2)C)C(=O)O

InChI

InChI=1S/C21H29N3O5S/c1-3-4-5-6-7-8-11-22-21(28)24-19-16(20(26)27)14(2)17(30-19)18(25)23-13-15-10-9-12-29-15/h9-10,12H,3-8,11,13H2,1-2H3,(H,23,25)(H,26,27)(H2,22,24,28)