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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(octanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(octanoylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-(1-oxooctylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(octanoylamino)thiophene-3-carboxylate Traditional Name: 2-(caprylylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4S/c1-6-9-10-11-12-13-15(23)21-18-16(20(25)26-5)14(4)17(27-18)19(24)22(7-2)8-3/h6-13H2,1-5H3,(H,21,23)