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

Systemtic Name: 4-methyl-2-(octylcarbamoylamino)-5-(2-phenoxyethylcarbamoyl)thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-(octylcarbamoylamino)-5-(2-phenoxyethylcarbamoyl)thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-[oxo-(2-phenoxyethylamino)methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octylcarbamoylamino)-5-(2-phenoxyethylcarbamoyl)thiophene-3-carboxylic acid Traditional Name: 4-methyl-2-(octylcarbamoylamino)-5-(2-phenoxyethylcarbamoyl)-3-thenoic acid Formula: C24H33N3O5S MolecularWeight: 475.60092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCOC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCOC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C24H33N3O5S/c1-3-4-5-6-7-11-14-26-24(31)27-22-19(23(29)30)17(2)20(33-22)21(28)25-15-16-32-18-12-9-8-10-13-18/h8-10,12-13H,3-7,11,14-16H2,1-2H3,(H,25,28)(H,29,30)(H2,26,27,31)