ethyl 2-(dodecanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(dodecanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(dodecanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-(1-oxododecylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(dodecanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(lauroylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H39NO3S MolecularWeight: 421.63636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OCC

InChI

InChI=1S/C24H39NO3S/c1-4-6-7-8-9-10-11-12-13-14-21(26)25-23-22(24(27)28-5-2)19-16-15-18(3)17-20(19)29-23/h18H,4-17H2,1-3H3,(H,25,26)