5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-(2,3-dihydrobenzofuran-5-ylmethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 5-[(2,3-dihydrobenzofuran-5-ylmethylamino)-oxomethyl]-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-(coumaran-5-ylmethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CC3=C(C=C2)OCC3)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CC3=C(C=C2)OCC3)C)C(=O)O

InChI

InChI=1S/C25H33N3O5S/c1-3-4-5-6-7-8-12-26-25(32)28-23-20(24(30)31)16(2)21(34-23)22(29)27-15-17-9-10-19-18(14-17)11-13-33-19/h9-10,14H,3-8,11-13,15H2,1-2H3,(H,27,29)(H,30,31)(H2,26,28,32)