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

Systemtic Name: 4-methyl-2-(octylcarbamoylamino)-5-(2-pyridin-3-ylethylcarbamoyl)thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-(octylcarbamoylamino)-5-[2-(3-pyridyl)ethylcarbamoyl]thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-[oxo-[2-(3-pyridinyl)ethylamino]methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octylcarbamoylamino)-5-(2-pyridin-3-ylethylcarbamoyl)thiophene-3-carboxylic acid Traditional Name: 4-methyl-2-(octylcarbamoylamino)-5-[2-(3-pyridyl)ethylcarbamoyl]-3-thenoic acid Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCC2=CN=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCC2=CN=CC=C2)C)C(=O)O

InChI

InChI=1S/C23H32N4O4S/c1-3-4-5-6-7-8-13-26-23(31)27-21-18(22(29)30)16(2)19(32-21)20(28)25-14-11-17-10-9-12-24-15-17/h9-10,12,15H,3-8,11,13-14H2,1-2H3,(H,25,28)(H,29,30)(H2,26,27,31)