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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O4S/c1-7-10-11-12-13-14-17(25)23-20-18(22(27)28-15(4)5)16(6)19(29-20)21(26)24(8-2)9-3/h15H,7-14H2,1-6H3,(H,23,25)