propan-2-yl 5-(diethylcarbamoyl)-2-(2-ethylhexanoylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-(diethylcarbamoyl)-2-(2-ethylhexanoylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 5-(diethylcarbamoyl)-2-(2-ethylhexanoylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[(2-ethyl-1-oxohexyl)amino]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(diethylcarbamoyl)-2-(2-ethylhexanoylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(2-ethylhexanoylamino)-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC(C)C

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC(C)C

InChI

InChI=1S/C22H36N2O4S/c1-8-12-13-16(9-2)19(25)23-20-17(22(27)28-14(5)6)15(7)18(29-20)21(26)24(10-3)11-4/h14,16H,8-13H2,1-7H3,(H,23,25)