5-[ethyl(2-pyridin-2-ylethyl)carbamoyl]-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-[ethyl(2-pyridin-2-ylethyl)carbamoyl]-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-[ethyl-[2-(2-pyridyl)ethyl]carbamoyl]-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 5-[[ethyl-[2-(2-pyridinyl)ethyl]amino]-oxomethyl]-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-[ethyl(2-pyridin-2-ylethyl)carbamoyl]-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-[ethyl-[2-(2-pyridyl)ethyl]carbamoyl]-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C25H36N4O4S MolecularWeight: 488.64274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N(CC)CCC2=CC=CC=N2)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N(CC)CCC2=CC=CC=N2)C)C(=O)O

InChI

InChI=1S/C25H36N4O4S/c1-4-6-7-8-9-11-16-27-25(33)28-22-20(24(31)32)18(3)21(34-22)23(30)29(5-2)17-14-19-13-10-12-15-26-19/h10,12-13,15H,4-9,11,14,16-17H2,1-3H3,(H,31,32)(H2,27,28,33)